N-[(4S)-1-acetyl-3-hydroxypiperidin-4-yl]-5-chloro-1H-indole-2-carboxamide

C16H18ClN3O3 — CID 163527865

IUPACN-[(4S)-1-acetyl-3-hydroxypiperidin-4-yl]-5-chloro-1H-indole-2-carboxamide
SMILESCC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C(O)C1
InChIInChI=1S/C16H18ClN3O3/c1-9(21)20-5-4-13(15(22)8-20)19-16(23)14-7-10-6-11(17)2-3-12(10)18-14/h2-3,6-7,13,15,18,22H,4-5,8H2,1H3,(H,19,23)/t13-,15?/m0/s1
InChIKeyDQIBZSGJCMCTDR-CFMCSPIPSA-N
MW335.79 g/mol
LogP1.53
Rot. Bonds2

About N-[(4S)-1-acetyl-3-hydroxypiperidin-4-yl]-5-chloro-1H-indole-2-carboxamide

N-[(4S)-1-acetyl-3-hydroxypiperidin-4-yl]-5-chloro-1H-indole-2-carboxamide (PubChem CID 163527865) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is N-[(4S)-1-acetyl-3-hydroxypiperidin-4-yl]-5-chloro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-acetyl-3-hydroxypiperidin-4-yl]-5-chloro-1H-indole-2-carboxamide
PubChem CID163527865
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC NameN-[(4S)-1-acetyl-3-hydroxypiperidin-4-yl]-5-chloro-1H-indole-2-carboxamide
SMILESCC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C(O)C1
InChIInChI=1S/C16H18ClN3O3/c1-9(21)20-5-4-13(15(22)8-20)19-16(23)14-7-10-6-11(17)2-3-12(10)18-14/h2-3,6-7,13,15,18,22H,4-5,8H2,1H3,(H,19,23)/t13-,15?/m0/s1
InChIKeyDQIBZSGJCMCTDR-CFMCSPIPSA-N
XLogP1.53
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (4S)-3-amino-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate
CID 68602421
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
5-chloro-N-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclohexyl]-1H-indole-2-carboxamide
CID 169419552
5-chloro-N-[(3R)-3-[(3R,4S)-3,4-dihydroxypyrrolidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-2-carboxamide
CID 11510762
N-[(3R,4R)-1-acetyl-3-hydroxypiperidin-4-yl]-4-chloro-2-methoxybenzamide
CID 91836572
N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide
CID 18442871
5-acetyl-N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 58822110
5-chloro-N-[(1S,2R)-2-[(1-propan-2-ylpiperidine-4-carbonyl)amino]cyclohexyl]-1H-indole-2-carboxamide
CID 58822060
N-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide
CID 18442852
5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide
CID 154568197
tert-butyl 4-[3-[[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]amino]-3-oxopropyl]piperidine-1-carboxylate
CID 91268112
5-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide
CID 11488766

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-acetyl-3-hydroxypiperidin-4-yl]-5-chloro-1H-indole-2-carboxamide?
The IUPAC name of N-[(4S)-1-acetyl-3-hydroxypiperidin-4-yl]-5-chloro-1H-indole-2-carboxamide (CID 163527865) is N-[(4S)-1-acetyl-3-hydroxypiperidin-4-yl]-5-chloro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(4S)-1-acetyl-3-hydroxypiperidin-4-yl]-5-chloro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(4S)-1-acetyl-3-hydroxypiperidin-4-yl]-5-chloro-1H-indole-2-carboxamide is CC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C(O)C1.
What is the InChIKey of N-[(4S)-1-acetyl-3-hydroxypiperidin-4-yl]-5-chloro-1H-indole-2-carboxamide?
The InChIKey is DQIBZSGJCMCTDR-CFMCSPIPSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-9(21)20-5-4-13(15(22)8-20)19-16(23)14-7-10-6-11(17)2-3-12(10)18-14/h2-3,6-7,13,15,18,22H,4-5,8H2,1H3,(H,19,23)/t13-,15?/m0/s1.
What are the key properties of N-[(4S)-1-acetyl-3-hydroxypiperidin-4-yl]-5-chloro-1H-indole-2-carboxamide?
N-[(4S)-1-acetyl-3-hydroxypiperidin-4-yl]-5-chloro-1H-indole-2-carboxamide has a molecular weight of 335.79 g/mol, XLogP of 1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-acetyl-3-hydroxypiperidin-4-yl]-5-chloro-1H-indole-2-carboxamide is sourced from PubChem (CID 163527865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).