(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide

C20H31N5O2 — CID 95552903

IUPAC(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCn1ccnc1)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C20H31N5O2/c26-19(22-8-13-23-12-7-21-15-23)17-2-1-9-25(14-17)18-5-10-24(11-6-18)20(27)16-3-4-16/h7,12,15-18H,1-6,8-11,13-14H2,(H,22,26)/t17-/m1/s1
InChIKeyXWDKOZYZZRYYBH-QGZVFWFLSA-N
MW373.50 g/mol
LogP1.11
Rot. Bonds6

About (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide

(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide (PubChem CID 95552903) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide
PubChem CID95552903
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCn1ccnc1)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C20H31N5O2/c26-19(22-8-13-23-12-7-21-15-23)17-2-1-9-25(14-17)18-5-10-24(11-6-18)20(27)16-3-4-16/h7,12,15-18H,1-6,8-11,13-14H2,(H,22,26)/t17-/m1/s1
InChIKeyXWDKOZYZZRYYBH-QGZVFWFLSA-N
XLogP1.11
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
CID 95552335
(3S)-1-(1-benzylpiperidin-4-yl)-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide
CID 95550117
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 95476503
N-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide
CID 132649483
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 56867752
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 56880438
(3R)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 96575197
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42395265
1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-N-[2-(1,2,4-triazol-4-yl)ethyl]piperidine-3-carboxamide
CID 56875334
N-(2-imidazol-1-ylethyl)-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143155
(3S)-N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 27026398
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 95563646

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide (CID 95552903) is (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide is O=C(NCCn1ccnc1)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is XWDKOZYZZRYYBH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31N5O2/c26-19(22-8-13-23-12-7-21-15-23)17-2-1-9-25(14-17)18-5-10-24(11-6-18)20(27)16-3-4-16/h7,12,15-18H,1-6,8-11,13-14H2,(H,22,26)/t17-/m1/s1.
What are the key properties of (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide?
(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95552903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).