N-(cyclopropylmethyl)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide

C15H19Cl2N3O2 — CID 78882073

IUPACN-(cyclopropylmethyl)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1
InChIInChI=1S/C15H19Cl2N3O2/c16-11-6-12(19-13(11)17)15(22)20-5-1-2-10(8-20)14(21)18-7-9-3-4-9/h6,9-10,19H,1-5,7-8H2,(H,18,21)
InChIKeyBCSOKNXDLDGRIO-UHFFFAOYSA-N
MW344.24 g/mol
LogP2.70
Rot. Bonds4

About N-(cyclopropylmethyl)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide

N-(cyclopropylmethyl)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide (PubChem CID 78882073) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
PubChem CID78882073
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC NameN-(cyclopropylmethyl)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCC1CC1)C1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1
InChIInChI=1S/C15H19Cl2N3O2/c16-11-6-12(19-13(11)17)15(22)20-5-1-2-10(8-20)14(21)18-7-9-3-4-9/h6,9-10,19H,1-5,7-8H2,(H,18,21)
InChIKeyBCSOKNXDLDGRIO-UHFFFAOYSA-N
XLogP2.70
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(4-cyclohexylbenzoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 51954362
(3S)-N-(cyclopropylmethyl)-1-(1H-indole-7-carbonyl)piperidine-3-carboxamide
CID 96559322
1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]piperidine-3-carboxamide
CID 53027630
N-(cyclopropylmethyl)-1-[2-methyl-2-(4-methylimidazol-1-yl)propanoyl]piperidine-3-carboxamide
CID 127267373
N-(cyclopropylmethyl)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-3-carboxamide
CID 138996028
N-(cyclopropylmethyl)-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxamide
CID 119289774
methyl 2-[[(3R)-1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]acetate
CID 42571173
N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119724080
(3S)-N-(cyclohexylmethyl)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxamide
CID 92729695
N-(cyclopropylmethyl)-1-[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]piperidine-3-carboxamide
CID 55748195
N-(2-aminoethyl)-1-(5-phenyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119480719
N-(cyclopropylmethyl)-1-[5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidine-3-carboxamide
CID 139006709

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide (CID 78882073) is N-(cyclopropylmethyl)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide is O=C(NCC1CC1)C1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is BCSOKNXDLDGRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2/c16-11-6-12(19-13(11)17)15(22)20-5-1-2-10(8-20)14(21)18-7-9-3-4-9/h6,9-10,19H,1-5,7-8H2,(H,18,21).
What are the key properties of N-(cyclopropylmethyl)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 344.24 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4,5-dichloro-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 78882073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).