(3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide

C24H23N3O2 — CID 25492836

IUPAC(3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
SMILESCC#CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1
InChIInChI=1S/C24H23N3O2/c1-2-7-23(28)27-13-6-10-19(16-27)24(29)25-20-11-5-9-17(14-20)22-15-18-8-3-4-12-21(18)26-22/h3-5,8-9,11-12,14-15,19,26H,6,10,13,16H2,1H3,(H,25,29)/t19-/m1/s1
InChIKeyGHTWDTJNXITDAI-LJQANCHMSA-N
MW385.47 g/mol
LogP4.04
Rot. Bonds3

About (3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide

(3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide (PubChem CID 25492836) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is (3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
PubChem CID25492836
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name(3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
SMILESCC#CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1
InChIInChI=1S/C24H23N3O2/c1-2-7-23(28)27-13-6-10-19(16-27)24(29)25-20-11-5-9-17(14-20)22-15-18-8-3-4-12-21(18)26-22/h3-5,8-9,11-12,14-15,19,26H,6,10,13,16H2,1H3,(H,25,29)/t19-/m1/s1
InChIKeyGHTWDTJNXITDAI-LJQANCHMSA-N
XLogP4.04
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 26401813
(3R)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methylsulfanylacetyl)piperidine-3-carboxamide
CID 26318167
N-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 45197737
(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide
CID 42565952
N-[3-(1H-indol-2-yl)phenyl]-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide
CID 45243703
1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 45211848
N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 45220000
methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 72859425
(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 25302072
N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 45191889
(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 42592946
N-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24817005

Frequently Asked Questions

What is the IUPAC name of (3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide (CID 25492836) is (3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide is CC#CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)C1.
What is the InChIKey of (3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is GHTWDTJNXITDAI-LJQANCHMSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-2-7-23(28)27-13-6-10-19(16-27)24(29)25-20-11-5-9-17(14-20)22-15-18-8-3-4-12-21(18)26-22/h3-5,8-9,11-12,14-15,19,26H,6,10,13,16H2,1H3,(H,25,29)/t19-/m1/s1.
What are the key properties of (3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide?
(3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 25492836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).