1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide

C24H29N3O — CID 99945532

IUPAC1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide
SMILESCc1cccc2c1cc(C(=O)NCCN1CCC[C@@H](c3ccccc3)C1)n2C
InChIInChI=1S/C24H29N3O/c1-18-8-6-12-22-21(18)16-23(26(22)2)24(28)25-13-15-27-14-7-11-20(17-27)19-9-4-3-5-10-19/h3-6,8-10,12,16,20H,7,11,13-15,17H2,1-2H3,(H,25,28)/t20-/m1/s1
InChIKeyXCTOGMGHWQIHSQ-HXUWFJFHSA-N
MW375.52 g/mol
LogP4.10
Rot. Bonds5

About 1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide

1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide (PubChem CID 99945532) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide.

Molecular Properties

Compound Name1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide
PubChem CID99945532
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide
SMILESCc1cccc2c1cc(C(=O)NCCN1CCC[C@@H](c3ccccc3)C1)n2C
InChIInChI=1S/C24H29N3O/c1-18-8-6-12-22-21(18)16-23(26(22)2)24(28)25-13-15-27-14-7-11-20(17-27)19-9-4-3-5-10-19/h3-6,8-10,12,16,20H,7,11,13-15,17H2,1-2H3,(H,25,28)/t20-/m1/s1
InChIKeyXCTOGMGHWQIHSQ-HXUWFJFHSA-N
XLogP4.10
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]indole-2-carboxamide
CID 77092346
1,4-dimethyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 110849661
2,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
CID 77085424
N-cyclopropyl-1,4-dimethylindole-2-carboxamide
CID 110847973
2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide
CID 95230194
N-[2-(3-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 72921846
2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide
CID 97445389
2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 131915442
4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 99946457
N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide
CID 95193540
1-methyl-2-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 74245133
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]acetamide
CID 91834161

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide?
The IUPAC name of 1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide (CID 99945532) is 1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide.
What is the SMILES notation for 1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide?
The canonical SMILES for 1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide is Cc1cccc2c1cc(C(=O)NCCN1CCC[C@@H](c3ccccc3)C1)n2C.
What is the InChIKey of 1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide?
The InChIKey is XCTOGMGHWQIHSQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29N3O/c1-18-8-6-12-22-21(18)16-23(26(22)2)24(28)25-13-15-27-14-7-11-20(17-27)19-9-4-3-5-10-19/h3-6,8-10,12,16,20H,7,11,13-15,17H2,1-2H3,(H,25,28)/t20-/m1/s1.
What are the key properties of 1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide?
1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide is sourced from PubChem (CID 99945532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).