N,N-dimethyl-1-[3-(3-methylimidazol-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide

C16H24N4O2 — CID 166260042

IUPACN,N-dimethyl-1-[3-(3-methylimidazol-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
SMILESCN(C)C(=O)C1(C(=O)N2CCCC(c3cncn3C)C2)CC1
InChIInChI=1S/C16H24N4O2/c1-18(2)14(21)16(6-7-16)15(22)20-8-4-5-12(10-20)13-9-17-11-19(13)3/h9,11-12H,4-8,10H2,1-3H3
InChIKeyRGKRLBOJBKRJIB-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.99
Rot. Bonds3

About N,N-dimethyl-1-[3-(3-methylimidazol-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide

N,N-dimethyl-1-[3-(3-methylimidazol-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide (PubChem CID 166260042) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-(3-methylimidazol-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-(3-methylimidazol-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
PubChem CID166260042
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN,N-dimethyl-1-[3-(3-methylimidazol-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
SMILESCN(C)C(=O)C1(C(=O)N2CCCC(c3cncn3C)C2)CC1
InChIInChI=1S/C16H24N4O2/c1-18(2)14(21)16(6-7-16)15(22)20-8-4-5-12(10-20)13-9-17-11-19(13)3/h9,11-12H,4-8,10H2,1-3H3
InChIKeyRGKRLBOJBKRJIB-UHFFFAOYSA-N
XLogP0.99
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-(3-methylimidazol-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of N,N-dimethyl-1-[3-(3-methylimidazol-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide (CID 166260042) is N,N-dimethyl-1-[3-(3-methylimidazol-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[3-(3-methylimidazol-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[3-(3-methylimidazol-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide is CN(C)C(=O)C1(C(=O)N2CCCC(c3cncn3C)C2)CC1.
What is the InChIKey of N,N-dimethyl-1-[3-(3-methylimidazol-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is RGKRLBOJBKRJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-18(2)14(21)16(6-7-16)15(22)20-8-4-5-12(10-20)13-9-17-11-19(13)3/h9,11-12H,4-8,10H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[3-(3-methylimidazol-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide?
N,N-dimethyl-1-[3-(3-methylimidazol-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-(3-methylimidazol-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166260042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).