(2R)-N-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperazine-2-carboxamide

C20H28N4O2 — CID 95730037

IUPAC(2R)-N-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperazine-2-carboxamide
SMILESO=C(NC1CC1)[C@H]1CNCCN1C(=O)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C20H28N4O2/c25-19(22-17-7-8-17)18-13-21-9-12-24(18)20(26)16-5-3-15(4-6-16)14-23-10-1-2-11-23/h3-6,17-18,21H,1-2,7-14H2,(H,22,25)/t18-/m1/s1
InChIKeyVATUGOFQFPZGDQ-GOSISDBHSA-N
MW356.47 g/mol
LogP0.98
Rot. Bonds5

About (2R)-N-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperazine-2-carboxamide

(2R)-N-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperazine-2-carboxamide (PubChem CID 95730037) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperazine-2-carboxamide
PubChem CID95730037
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name(2R)-N-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperazine-2-carboxamide
SMILESO=C(NC1CC1)[C@H]1CNCCN1C(=O)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C20H28N4O2/c25-19(22-17-7-8-17)18-13-21-9-12-24(18)20(26)16-5-3-15(4-6-16)14-23-10-1-2-11-23/h3-6,17-18,21H,1-2,7-14H2,(H,22,25)/t18-/m1/s1
InChIKeyVATUGOFQFPZGDQ-GOSISDBHSA-N
XLogP0.98
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 39284007
(2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 124513939
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 119857425
(2S)-N-cyclopropyl-1-(2,2-diphenylacetyl)piperazine-2-carboxamide
CID 95725760
1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide
CID 119453078
1-(3,4-dichlorobenzoyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 119453399
(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 81119070
(2R)-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide
CID 95707096
(2S)-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide
CID 95707097
N-cyclopropyl-1-[2-(2-methylphenyl)sulfanylacetyl]piperazine-2-carboxamide
CID 56902915
1-benzyl-N-piperidin-3-ylpiperidine-2-carboxamide;dihydrochloride
CID 119427951

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperazine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperazine-2-carboxamide (CID 95730037) is (2R)-N-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperazine-2-carboxamide is O=C(NC1CC1)[C@H]1CNCCN1C(=O)c1ccc(CN2CCCC2)cc1.
What is the InChIKey of (2R)-N-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperazine-2-carboxamide?
The InChIKey is VATUGOFQFPZGDQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N4O2/c25-19(22-17-7-8-17)18-13-21-9-12-24(18)20(26)16-5-3-15(4-6-16)14-23-10-1-2-11-23/h3-6,17-18,21H,1-2,7-14H2,(H,22,25)/t18-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperazine-2-carboxamide?
(2R)-N-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperazine-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperazine-2-carboxamide is sourced from PubChem (CID 95730037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).