N-(3-methylbutyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C19H28N4O2 — CID 108978920

IUPACN-(3-methylbutyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCC(C)CCNC(=O)C1(C(=O)N2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C19H28N4O2/c1-15(2)6-10-21-17(24)19(7-8-19)18(25)23-13-11-22(12-14-23)16-5-3-4-9-20-16/h3-5,9,15H,6-8,10-14H2,1-2H3,(H,21,24)
InChIKeyUUVCZKUYQSQTMQ-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.67
Rot. Bonds6

About N-(3-methylbutyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-(3-methylbutyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108978920) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108978920
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-(3-methylbutyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCC(C)CCNC(=O)C1(C(=O)N2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C19H28N4O2/c1-15(2)6-10-21-17(24)19(7-8-19)18(25)23-13-11-22(12-14-23)16-5-3-4-9-20-16/h3-5,9,15H,6-8,10-14H2,1-2H3,(H,21,24)
InChIKeyUUVCZKUYQSQTMQ-UHFFFAOYSA-N
XLogP1.67
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972905
N-[(2-fluorophenyl)methyl]-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975668
N-phenyl-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978927
N-(pyridin-3-ylmethyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108976801
N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106706
N-benzyl-N-methyl-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975525
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
N-(4-chloro-2-methylphenyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978954
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide
CID 51100747
N-[2-(4-fluorophenyl)ethyl]-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108977459
2-(3-methylbutyl)-1-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111092171

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 108978920) is N-(3-methylbutyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is CC(C)CCNC(=O)C1(C(=O)N2CCN(c3ccccn3)CC2)CC1.
What is the InChIKey of N-(3-methylbutyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is UUVCZKUYQSQTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15(2)6-10-21-17(24)19(7-8-19)18(25)23-13-11-22(12-14-23)16-5-3-4-9-20-16/h3-5,9,15H,6-8,10-14H2,1-2H3,(H,21,24).
What are the key properties of N-(3-methylbutyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(3-methylbutyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108978920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).