N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

C17H24N6O — CID 95152739

IUPACN-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESC[C@H](Cn1ccnc1)NC(=O)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C17H24N6O/c1-15(12-22-7-6-19-14-22)20-17(24)23-10-8-21(9-11-23)13-16-2-4-18-5-3-16/h2-7,14-15H,8-13H2,1H3,(H,20,24)/t15-/m1/s1
InChIKeyWVGPMIYAPNQJML-OAHLLOKOSA-N
MW328.42 g/mol
LogP1.19
Rot. Bonds5

About N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide

N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 95152739) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
PubChem CID95152739
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESC[C@H](Cn1ccnc1)NC(=O)N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C17H24N6O/c1-15(12-22-7-6-19-14-22)20-17(24)23-10-8-21(9-11-23)13-16-2-4-18-5-3-16/h2-7,14-15H,8-13H2,1H3,(H,20,24)/t15-/m1/s1
InChIKeyWVGPMIYAPNQJML-OAHLLOKOSA-N
XLogP1.19
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 95127355
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 94122765
N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide
CID 94122810
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 94122773
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94122779
(2R,6S)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 100561408
N-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113104308
4-benzyl-N-[(2R)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 97038502
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 94122847
N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]morpholine-4-carboxamide
CID 110284593
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
2-[4-(aminomethyl)phenyl]-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 63588905

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide (CID 95152739) is N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide is C[C@H](Cn1ccnc1)NC(=O)N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is WVGPMIYAPNQJML-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N6O/c1-15(12-22-7-6-19-14-22)20-17(24)23-10-8-21(9-11-23)13-16-2-4-18-5-3-16/h2-7,14-15H,8-13H2,1H3,(H,20,24)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-imidazol-1-ylpropan-2-yl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 95152739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).