4-(3-methylimidazol-4-yl)-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]piperidine-1-carboxamide

C16H24N6O — CID 164630963

IUPAC4-(3-methylimidazol-4-yl)-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC(c2cncn2C)CC1)c1ccn(C)n1
InChIInChI=1S/C16H24N6O/c1-12(14-6-7-21(3)19-14)18-16(23)22-8-4-13(5-9-22)15-10-17-11-20(15)2/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,18,23)/t12-/m0/s1
InChIKeyRUWDRXXDYPKRFY-LBPRGKRZSA-N
MW316.41 g/mol
LogP1.80
Rot. Bonds3

About 4-(3-methylimidazol-4-yl)-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]piperidine-1-carboxamide

4-(3-methylimidazol-4-yl)-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]piperidine-1-carboxamide (PubChem CID 164630963) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-(3-methylimidazol-4-yl)-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methylimidazol-4-yl)-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]piperidine-1-carboxamide
PubChem CID164630963
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name4-(3-methylimidazol-4-yl)-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC(c2cncn2C)CC1)c1ccn(C)n1
InChIInChI=1S/C16H24N6O/c1-12(14-6-7-21(3)19-14)18-16(23)22-8-4-13(5-9-22)15-10-17-11-20(15)2/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,18,23)/t12-/m0/s1
InChIKeyRUWDRXXDYPKRFY-LBPRGKRZSA-N
XLogP1.80
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylimidazol-4-yl)-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(3-methylimidazol-4-yl)-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]piperidine-1-carboxamide (CID 164630963) is 4-(3-methylimidazol-4-yl)-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-methylimidazol-4-yl)-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(3-methylimidazol-4-yl)-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]piperidine-1-carboxamide is C[C@H](NC(=O)N1CCC(c2cncn2C)CC1)c1ccn(C)n1.
What is the InChIKey of 4-(3-methylimidazol-4-yl)-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is RUWDRXXDYPKRFY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N6O/c1-12(14-6-7-21(3)19-14)18-16(23)22-8-4-13(5-9-22)15-10-17-11-20(15)2/h6-7,10-13H,4-5,8-9H2,1-3H3,(H,18,23)/t12-/m0/s1.
What are the key properties of 4-(3-methylimidazol-4-yl)-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]piperidine-1-carboxamide?
4-(3-methylimidazol-4-yl)-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylimidazol-4-yl)-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 164630963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).