(2S)-N-(3-cyanophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide

C23H24N4O — CID 41379703

IUPAC(2S)-N-(3-cyanophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H24N4O/c1-16(23(28)26-19-6-4-5-17(13-19)14-24)27-11-9-18(10-12-27)21-15-25-22-8-3-2-7-20(21)22/h2-8,13,15-16,18,25H,9-12H2,1H3,(H,26,28)/t16-/m0/s1
InChIKeyYCBGHOUNPWPPJA-INIZCTEOSA-N
MW372.47 g/mol
LogP4.25
Rot. Bonds4

About (2S)-N-(3-cyanophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide

(2S)-N-(3-cyanophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide (PubChem CID 41379703) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is (2S)-N-(3-cyanophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-cyanophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
PubChem CID41379703
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name(2S)-N-(3-cyanophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C23H24N4O/c1-16(23(28)26-19-6-4-5-17(13-19)14-24)27-11-9-18(10-12-27)21-15-25-22-8-3-2-7-20(21)22/h2-8,13,15-16,18,25H,9-12H2,1H3,(H,26,28)/t16-/m0/s1
InChIKeyYCBGHOUNPWPPJA-INIZCTEOSA-N
XLogP4.25
TPSA71.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3,4-dimethoxyphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41414942
(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 41414916
(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 25492854
(2R)-2-(4-benzylpiperidin-1-yl)-N-(3-cyanophenyl)propanamide
CID 2535656
(2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41414954
(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 41414932
N-(2-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 42931721
(2S)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)propanamide
CID 11940267
N-(3-cyanophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083490
3-[1-[(2S)-1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl]piperidin-4-yl]-1H-indole-5-carboxamide
CID 97261045
(2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 99850769
N-(3-cyanophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]propanamide
CID 79835043

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyanophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(3-cyanophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide (CID 41379703) is (2S)-N-(3-cyanophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(3-cyanophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(3-cyanophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide is C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of (2S)-N-(3-cyanophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide?
The InChIKey is YCBGHOUNPWPPJA-INIZCTEOSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16(23(28)26-19-6-4-5-17(13-19)14-24)27-11-9-18(10-12-27)21-15-25-22-8-3-2-7-20(21)22/h2-8,13,15-16,18,25H,9-12H2,1H3,(H,26,28)/t16-/m0/s1.
What are the key properties of (2S)-N-(3-cyanophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide?
(2S)-N-(3-cyanophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide has a molecular weight of 372.47 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyanophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 41379703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).