(2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide

C23H31N3O2 — CID 92503661

IUPAC(2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
SMILESC[C@H](C(=O)NC1CCCCC1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H31N3O2/c1-16(22(27)24-19-8-3-2-4-9-19)17-11-13-26(14-12-17)23(28)21-15-18-7-5-6-10-20(18)25-21/h5-7,10,15-17,19,25H,2-4,8-9,11-14H2,1H3,(H,24,27)/t16-/m0/s1
InChIKeyRGUFSZFQAJWIGX-INIZCTEOSA-N
MW381.52 g/mol
LogP4.11
Rot. Bonds4

About (2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide

(2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide (PubChem CID 92503661) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
PubChem CID92503661
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name(2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
SMILESC[C@H](C(=O)NC1CCCCC1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H31N3O2/c1-16(22(27)24-19-8-3-2-4-9-19)17-11-13-26(14-12-17)23(28)21-15-18-7-5-6-10-20(18)25-21/h5-7,10,15-17,19,25H,2-4,8-9,11-14H2,1H3,(H,24,27)/t16-/m0/s1
InChIKeyRGUFSZFQAJWIGX-INIZCTEOSA-N
XLogP4.11
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-cyclohexyl-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92503737
N-butyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 50816867
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 49349124
(2R)-N-(3-ethoxypropyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 93076941
N-[(4-ethoxyphenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 50816968
(2S)-N-[(3-bromophenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 93076972
(2R)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 92503660
2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 50816866
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92879859
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 7723076
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-2-methoxybenzamide
CID 52899027

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of (2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide (CID 92503661) is (2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide is C[C@H](C(=O)NC1CCCCC1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of (2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is RGUFSZFQAJWIGX-INIZCTEOSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-16(22(27)24-19-8-3-2-4-9-19)17-11-13-26(14-12-17)23(28)21-15-18-7-5-6-10-20(18)25-21/h5-7,10,15-17,19,25H,2-4,8-9,11-14H2,1H3,(H,24,27)/t16-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide?
(2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 381.52 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 92503661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).