(3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide

C13H21ClN2O — CID 94161409

IUPAC(3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
SMILESC=C(Cl)CN1CCC[C@@H](C(=O)NCC2CC2)C1
InChIInChI=1S/C13H21ClN2O/c1-10(14)8-16-6-2-3-12(9-16)13(17)15-7-11-4-5-11/h11-12H,1-9H2,(H,15,17)/t12-/m1/s1
InChIKeyYBDGUENQEJNMKZ-GFCCVEGCSA-N
MW256.78 g/mol
LogP1.98
Rot. Bonds5

About (3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide

(3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide (PubChem CID 94161409) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is (3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
PubChem CID94161409
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name(3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
SMILESC=C(Cl)CN1CCC[C@@H](C(=O)NCC2CC2)C1
InChIInChI=1S/C13H21ClN2O/c1-10(14)8-16-6-2-3-12(9-16)13(17)15-7-11-4-5-11/h11-12H,1-9H2,(H,15,17)/t12-/m1/s1
InChIKeyYBDGUENQEJNMKZ-GFCCVEGCSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161419
N-(cyclopropylmethyl)-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 86993577
1-[2-(2-adamantylamino)-2-oxoethyl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 136577033
methyl (2S)-3-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]-2-hydroxy-2-methylpropanoate
CID 100620951
N-[[(3R)-1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95291109
N-(cyclopropylmethyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 60512490
N-(cyclopropylmethyl)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 51081872
N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide
CID 131924742
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
N-(cyclopropylmethyl)-1-cyclopropylsulfonylpiperidine-3-carboxamide
CID 127363128
ethyl 6-[(3S)-3-(cyclopropylmethylcarbamoyl)piperidin-1-yl]hexanoate
CID 95346670
N-(2-aminoethyl)-1-(2-bromoprop-2-enyl)piperidine-3-carboxamide
CID 63253099

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide (CID 94161409) is (3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide is C=C(Cl)CN1CCC[C@@H](C(=O)NCC2CC2)C1.
What is the InChIKey of (3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide?
The InChIKey is YBDGUENQEJNMKZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-10(14)8-16-6-2-3-12(9-16)13(17)15-7-11-4-5-11/h11-12H,1-9H2,(H,15,17)/t12-/m1/s1.
What are the key properties of (3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide?
(3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide has a molecular weight of 256.78 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 94161409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).