5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxo-2-piperidin-1-ylpropan-2-yl]-1H-indole-2-carboxamide

C27H39ClN6O2 — CID 90885496

IUPAC5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxo-2-piperidin-1-ylpropan-2-yl]-1H-indole-2-carboxamide
SMILESCN1CCC(N2CCN(C(=O)[C@](C)(NC(=O)c3cc4cc(Cl)ccc4[nH]3)N3CCCCC3)CC2)CC1
InChIInChI=1S/C27H39ClN6O2/c1-27(34-10-4-3-5-11-34,30-25(35)24-19-20-18-21(28)6-7-23(20)29-24)26(36)33-16-14-32(15-17-33)22-8-12-31(2)13-9-22/h6-7,18-19,22,29H,3-5,8-17H2,1-2H3,(H,30,35)/t27-/m1/s1
InChIKeyOQHIMVDZNVXXMO-HHHXNRCGSA-N
MW515.10 g/mol
LogP2.99
Rot. Bonds5

About 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxo-2-piperidin-1-ylpropan-2-yl]-1H-indole-2-carboxamide

5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxo-2-piperidin-1-ylpropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 90885496) has the molecular formula C27H39ClN6O2 and a molecular weight of 515.10 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxo-2-piperidin-1-ylpropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxo-2-piperidin-1-ylpropan-2-yl]-1H-indole-2-carboxamide
PubChem CID90885496
Molecular FormulaC27H39ClN6O2
Molecular Weight515.10 g/mol
Exact Mass514.28
IUPAC Name5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxo-2-piperidin-1-ylpropan-2-yl]-1H-indole-2-carboxamide
SMILESCN1CCC(N2CCN(C(=O)[C@](C)(NC(=O)c3cc4cc(Cl)ccc4[nH]3)N3CCCCC3)CC2)CC1
InChIInChI=1S/C27H39ClN6O2/c1-27(34-10-4-3-5-11-34,30-25(35)24-19-20-18-21(28)6-7-23(20)29-24)26(36)33-16-14-32(15-17-33)22-8-12-31(2)13-9-22/h6-7,18-19,22,29H,3-5,8-17H2,1-2H3,(H,30,35)/t27-/m1/s1
InChIKeyOQHIMVDZNVXXMO-HHHXNRCGSA-N
XLogP2.99
TPSA74.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.10
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxo-2-piperidin-1-ylpropan-2-yl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 91398556
5-chloro-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride
CID 69329098
5-chloro-N-[(2S)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxo-2-piperidin-1-ylpropan-2-yl]-1H-indole-2-carboxamide
CID 69329111
5-chloro-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide;hydrochloride
CID 69142306
5-chloro-N-[(2S)-2-(dimethylamino)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-1H-indole-2-carboxamide;hydrochloride
CID 69329693
5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-yl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 23540223
2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-cyclohexylpiperazin-1-yl)propan-1-one
CID 50816910
5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide
CID 118425264
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
2-(4-chlorophenyl)-3,3-dimethyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-4-oxobutanamide
CID 68854526
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
5-chloro-N'-(oxane-4-carbonyl)-1H-indole-2-carbohydrazide
CID 11255709

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxo-2-piperidin-1-ylpropan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxo-2-piperidin-1-ylpropan-2-yl]-1H-indole-2-carboxamide (CID 90885496) is 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxo-2-piperidin-1-ylpropan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxo-2-piperidin-1-ylpropan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxo-2-piperidin-1-ylpropan-2-yl]-1H-indole-2-carboxamide is CN1CCC(N2CCN(C(=O)[C@](C)(NC(=O)c3cc4cc(Cl)ccc4[nH]3)N3CCCCC3)CC2)CC1.
What is the InChIKey of 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxo-2-piperidin-1-ylpropan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is OQHIMVDZNVXXMO-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H39ClN6O2/c1-27(34-10-4-3-5-11-34,30-25(35)24-19-20-18-21(28)6-7-23(20)29-24)26(36)33-16-14-32(15-17-33)22-8-12-31(2)13-9-22/h6-7,18-19,22,29H,3-5,8-17H2,1-2H3,(H,30,35)/t27-/m1/s1.
What are the key properties of 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxo-2-piperidin-1-ylpropan-2-yl]-1H-indole-2-carboxamide?
5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxo-2-piperidin-1-ylpropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 515.10 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxo-2-piperidin-1-ylpropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 90885496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).