N-[2-[(2S)-1-(2,3-dimethyl-1H-indole-4-carbonyl)piperidin-2-yl]ethyl]benzamide

C25H29N3O2 — CID 92634273

IUPACN-[2-[(2S)-1-(2,3-dimethyl-1H-indole-4-carbonyl)piperidin-2-yl]ethyl]benzamide
SMILESCc1[nH]c2cccc(C(=O)N3CCCC[C@H]3CCNC(=O)c3ccccc3)c2c1C
InChIInChI=1S/C25H29N3O2/c1-17-18(2)27-22-13-8-12-21(23(17)22)25(30)28-16-7-6-11-20(28)14-15-26-24(29)19-9-4-3-5-10-19/h3-5,8-10,12-13,20,27H,6-7,11,14-16H2,1-2H3,(H,26,29)/t20-/m0/s1
InChIKeyMZKDXDUURATMQE-FQEVSTJZSA-N
MW403.53 g/mol
LogP4.60
Rot. Bonds5

About N-[2-[(2S)-1-(2,3-dimethyl-1H-indole-4-carbonyl)piperidin-2-yl]ethyl]benzamide

N-[2-[(2S)-1-(2,3-dimethyl-1H-indole-4-carbonyl)piperidin-2-yl]ethyl]benzamide (PubChem CID 92634273) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[2-[(2S)-1-(2,3-dimethyl-1H-indole-4-carbonyl)piperidin-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2S)-1-(2,3-dimethyl-1H-indole-4-carbonyl)piperidin-2-yl]ethyl]benzamide
PubChem CID92634273
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-[2-[(2S)-1-(2,3-dimethyl-1H-indole-4-carbonyl)piperidin-2-yl]ethyl]benzamide
SMILESCc1[nH]c2cccc(C(=O)N3CCCC[C@H]3CCNC(=O)c3ccccc3)c2c1C
InChIInChI=1S/C25H29N3O2/c1-17-18(2)27-22-13-8-12-21(23(17)22)25(30)28-16-7-6-11-20(28)14-15-26-24(29)19-9-4-3-5-10-19/h3-5,8-10,12-13,20,27H,6-7,11,14-16H2,1-2H3,(H,26,29)/t20-/m0/s1
InChIKeyMZKDXDUURATMQE-FQEVSTJZSA-N
XLogP4.60
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2R)-1-(2,2-diphenylacetyl)piperidin-2-yl]ethyl]benzamide
CID 129455068
N-[2-[(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide
CID 92634328
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
N-[2-[1-(1-methylnaphthalene-2-carbonyl)piperidin-2-yl]ethyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide
CID 166328142
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
N-[2-[(2R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide
CID 92634245
N-[2-[(2S)-1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-2-yl]ethyl]acetamide
CID 97117572
4-(2-ethylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047836
2,3-dimethyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-4-carboxamide
CID 92604271
[2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone
CID 107098180
(3-chloro-2-methylphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 107098111
3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050358

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-1-(2,3-dimethyl-1H-indole-4-carbonyl)piperidin-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[(2S)-1-(2,3-dimethyl-1H-indole-4-carbonyl)piperidin-2-yl]ethyl]benzamide (CID 92634273) is N-[2-[(2S)-1-(2,3-dimethyl-1H-indole-4-carbonyl)piperidin-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[(2S)-1-(2,3-dimethyl-1H-indole-4-carbonyl)piperidin-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[(2S)-1-(2,3-dimethyl-1H-indole-4-carbonyl)piperidin-2-yl]ethyl]benzamide is Cc1[nH]c2cccc(C(=O)N3CCCC[C@H]3CCNC(=O)c3ccccc3)c2c1C.
What is the InChIKey of N-[2-[(2S)-1-(2,3-dimethyl-1H-indole-4-carbonyl)piperidin-2-yl]ethyl]benzamide?
The InChIKey is MZKDXDUURATMQE-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-17-18(2)27-22-13-8-12-21(23(17)22)25(30)28-16-7-6-11-20(28)14-15-26-24(29)19-9-4-3-5-10-19/h3-5,8-10,12-13,20,27H,6-7,11,14-16H2,1-2H3,(H,26,29)/t20-/m0/s1.
What are the key properties of N-[2-[(2S)-1-(2,3-dimethyl-1H-indole-4-carbonyl)piperidin-2-yl]ethyl]benzamide?
N-[2-[(2S)-1-(2,3-dimethyl-1H-indole-4-carbonyl)piperidin-2-yl]ethyl]benzamide has a molecular weight of 403.53 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-1-(2,3-dimethyl-1H-indole-4-carbonyl)piperidin-2-yl]ethyl]benzamide is sourced from PubChem (CID 92634273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).