1-(cyclopropanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide

C18H28N4O2 — CID 72893576

IUPAC1-(cyclopropanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide
SMILESCN(CCCc1nccn1C)C(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H28N4O2/c1-20-13-9-19-16(20)4-3-10-21(2)17(23)15-7-11-22(12-8-15)18(24)14-5-6-14/h9,13-15H,3-8,10-12H2,1-2H3
InChIKeyRROLQERSMKFBDU-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.46
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide (PubChem CID 72893576) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide
PubChem CID72893576
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-(cyclopropanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide
SMILESCN(CCCc1nccn1C)C(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H28N4O2/c1-20-13-9-19-16(20)4-3-10-21(2)17(23)15-7-11-22(12-8-15)18(24)14-5-6-14/h9,13-15H,3-8,10-12H2,1-2H3
InChIKeyRROLQERSMKFBDU-UHFFFAOYSA-N
XLogP1.46
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide (CID 72893576) is 1-(cyclopropanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide is CN(CCCc1nccn1C)C(=O)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide?
The InChIKey is RROLQERSMKFBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-20-13-9-19-16(20)4-3-10-21(2)17(23)15-7-11-22(12-8-15)18(24)14-5-6-14/h9,13-15H,3-8,10-12H2,1-2H3.
What are the key properties of 1-(cyclopropanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 72893576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).