N-[(2S)-butan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide

C21H29N3O3 — CID 93076979

IUPACN-[(2S)-butan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCC[C@H](C)NC(=O)CC1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1
InChIInChI=1S/C21H29N3O3/c1-4-14(2)22-20(25)11-15-7-9-24(10-8-15)21(26)19-12-16-5-6-17(27-3)13-18(16)23-19/h5-6,12-15,23H,4,7-11H2,1-3H3,(H,22,25)/t14-/m0/s1
InChIKeyUZDWXNFBTXOONQ-AWEZNQCLSA-N
MW371.48 g/mol
LogP3.33
Rot. Bonds6

About N-[(2S)-butan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide

N-[(2S)-butan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 93076979) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID93076979
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-[(2S)-butan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCC[C@H](C)NC(=O)CC1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1
InChIInChI=1S/C21H29N3O3/c1-4-14(2)22-20(25)11-15-7-9-24(10-8-15)21(26)19-12-16-5-6-17(27-3)13-18(16)23-19/h5-6,12-15,23H,4,7-11H2,1-3H3,(H,22,25)/t14-/m0/s1
InChIKeyUZDWXNFBTXOONQ-AWEZNQCLSA-N
XLogP3.33
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-butan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 50816995
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 92503728
(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-propylpropanamide
CID 92503700
N-[(3-bromophenyl)methyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 50816811
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide
CID 92503706
(2R)-N-cyclohexyl-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92503737
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92503758
(2R)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92503745
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 92765247
(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)propanamide
CID 92503749
2-[(3R)-1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]acetamide
CID 95786376
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide (CID 93076979) is N-[(2S)-butan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide is CC[C@H](C)NC(=O)CC1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)CC1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is UZDWXNFBTXOONQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-4-14(2)22-20(25)11-15-7-9-24(10-8-15)21(26)19-12-16-5-6-17(27-3)13-18(16)23-19/h5-6,12-15,23H,4,7-11H2,1-3H3,(H,22,25)/t14-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide?
N-[(2S)-butan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 371.48 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 93076979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).