(3R)-N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide

C24H35N3O — CID 95553467

IUPAC(3R)-N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide
SMILESCN1CCC(N2CCC[C@@H](C(=O)N(C/C=C/c3ccccc3)C3CC3)C2)CC1
InChIInChI=1S/C24H35N3O/c1-25-17-13-22(14-18-25)26-15-6-10-21(19-26)24(28)27(23-11-12-23)16-5-9-20-7-3-2-4-8-20/h2-5,7-9,21-23H,6,10-19H2,1H3/b9-5+/t21-/m1/s1
InChIKeySSTPJSHWZPXEMP-AEVNEEFTSA-N
MW381.56 g/mol
LogP3.50
Rot. Bonds6

About (3R)-N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide

(3R)-N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide (PubChem CID 95553467) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide
PubChem CID95553467
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC Name(3R)-N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide
SMILESCN1CCC(N2CCC[C@@H](C(=O)N(C/C=C/c3ccccc3)C3CC3)C2)CC1
InChIInChI=1S/C24H35N3O/c1-25-17-13-22(14-18-25)26-15-6-10-21(19-26)24(28)27(23-11-12-23)16-5-9-20-7-3-2-4-8-20/h2-5,7-9,21-23H,6,10-19H2,1H3/b9-5+/t21-/m1/s1
InChIKeySSTPJSHWZPXEMP-AEVNEEFTSA-N
XLogP3.50
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 28822083
(3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 7047247
N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 6456406
1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 3162006
(3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26458414
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 45252707
1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-(2-cyanoethyl)-N-cyclopropylpiperidine-3-carboxamide
CID 91164144
[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 29185356
N-ethyl-N-(3-phenylprop-2-enyl)cyclopropanecarboxamide
CID 76600124
(3S)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide
CID 25124946
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide
CID 45171232
N-[(E)-3-phenylprop-2-enyl]-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 74235813

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide (CID 95553467) is (3R)-N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide is CN1CCC(N2CCC[C@@H](C(=O)N(C/C=C/c3ccccc3)C3CC3)C2)CC1.
What is the InChIKey of (3R)-N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide?
The InChIKey is SSTPJSHWZPXEMP-AEVNEEFTSA-N. The full InChI is InChI=1S/C24H35N3O/c1-25-17-13-22(14-18-25)26-15-6-10-21(19-26)24(28)27(23-11-12-23)16-5-9-20-7-3-2-4-8-20/h2-5,7-9,21-23H,6,10-19H2,1H3/b9-5+/t21-/m1/s1.
What are the key properties of (3R)-N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide?
(3R)-N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide has a molecular weight of 381.56 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide is sourced from PubChem (CID 95553467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).