N-benzyl-1-(piperidine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide

C20H28N2O2 — CID 108972011

IUPACN-benzyl-1-(piperidine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H28N2O2/c1-16(2)22(15-17-9-5-3-6-10-17)19(24)20(11-12-20)18(23)21-13-7-4-8-14-21/h3,5-6,9-10,16H,4,7-8,11-15H2,1-2H3
InChIKeyJWZNZOQDNBGZMC-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.22
Rot. Bonds5

About N-benzyl-1-(piperidine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide

N-benzyl-1-(piperidine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 108972011) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-benzyl-1-(piperidine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(piperidine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide
PubChem CID108972011
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-benzyl-1-(piperidine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H28N2O2/c1-16(2)22(15-17-9-5-3-6-10-17)19(24)20(11-12-20)18(23)21-13-7-4-8-14-21/h3,5-6,9-10,16H,4,7-8,11-15H2,1-2H3
InChIKeyJWZNZOQDNBGZMC-UHFFFAOYSA-N
XLogP3.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-benzyl-1-N-cyclohexyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108972199
1-N'-benzyl-1-N-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108977111
N-methyl-N-phenyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972027
N-benzyl-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 113198160
1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108975241
N-benzyl-N-propan-2-yl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131864
N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971956
N-benzyl-N-propan-2-yl-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 167757145
1-N'-benzyl-1-N'-propan-2-yl-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979580
1-N-(4-acetylphenyl)-1-N'-benzyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108979606
[1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 108972015
2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78786454

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(piperidine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-benzyl-1-(piperidine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide (CID 108972011) is N-benzyl-1-(piperidine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-benzyl-1-(piperidine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-benzyl-1-(piperidine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide is CC(C)N(Cc1ccccc1)C(=O)C1(C(=O)N2CCCCC2)CC1.
What is the InChIKey of N-benzyl-1-(piperidine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is JWZNZOQDNBGZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-16(2)22(15-17-9-5-3-6-10-17)19(24)20(11-12-20)18(23)21-13-7-4-8-14-21/h3,5-6,9-10,16H,4,7-8,11-15H2,1-2H3.
What are the key properties of N-benzyl-1-(piperidine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide?
N-benzyl-1-(piperidine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(piperidine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 108972011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).