[1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

C26H33N5O — CID 53145585

IUPAC[1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCn1cc(CCN2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)c2cccnc21
InChIInChI=1S/C26H33N5O/c1-28-20-22(24-8-5-12-27-25(24)28)11-15-29-13-9-21(10-14-29)26(32)31-18-16-30(17-19-31)23-6-3-2-4-7-23/h2-8,12,20-21H,9-11,13-19H2,1H3
InChIKeyGECRRFPZPDRYEI-UHFFFAOYSA-N
MW431.58 g/mol
LogP3.18
Rot. Bonds5

About [1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone

[1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 53145585) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is [1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID53145585
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC Name[1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCn1cc(CCN2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)c2cccnc21
InChIInChI=1S/C26H33N5O/c1-28-20-22(24-8-5-12-27-25(24)28)11-15-29-13-9-21(10-14-29)26(32)31-18-16-30(17-19-31)23-6-3-2-4-7-23/h2-8,12,20-21H,9-11,13-19H2,1H3
InChIKeyGECRRFPZPDRYEI-UHFFFAOYSA-N
XLogP3.18
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chlorophenyl)-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone
CID 53145412
N-[(3-fluorophenyl)methyl]-1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide
CID 53145554
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
(4-phenylpiperazin-1-yl)-[1-(2-phenylpropyl)piperidin-4-yl]methanone
CID 3781399
2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 1331173
[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124814185
3-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-1-methylpyrrolo[2,3-b]pyridine
CID 53145476
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
2-benzyl-4-methyl-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 166364292
methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110754124
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
N-[(4-chlorophenyl)methyl]-1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide
CID 53145612

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 53145585) is [1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is Cn1cc(CCN2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)c2cccnc21.
What is the InChIKey of [1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is GECRRFPZPDRYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-28-20-22(24-8-5-12-27-25(24)28)11-15-29-13-9-21(10-14-29)26(32)31-18-16-30(17-19-31)23-6-3-2-4-7-23/h2-8,12,20-21H,9-11,13-19H2,1H3.
What are the key properties of [1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 431.58 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 53145585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).