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

C17H26N4O — CID 99714063

IUPACN-[(2R)-1-cyclopropylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESC[C@H](CC1CC1)NC(=O)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C17H26N4O/c1-14(12-15-5-6-15)19-17(22)21-10-8-20(9-11-21)13-16-4-2-3-7-18-16/h2-4,7,14-15H,5-6,8-13H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyQYVFYWUIPDTALS-CQSZACIVSA-N
MW302.42 g/mol
LogP2.10
Rot. Bonds5

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

N-[(2R)-1-cyclopropylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 99714063) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(2R)-1-cyclopropylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-cyclopropylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID99714063
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-[(2R)-1-cyclopropylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESC[C@H](CC1CC1)NC(=O)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C17H26N4O/c1-14(12-15-5-6-15)19-17(22)21-10-8-20(9-11-21)13-16-4-2-3-7-18-16/h2-4,7,14-15H,5-6,8-13H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyQYVFYWUIPDTALS-CQSZACIVSA-N
XLogP2.10
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-methylsulfanylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99714160
N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99713896
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797413
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 60938982
N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797484
N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184500
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248
N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184526
N-[3-(dimethylamino)propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113106252
4-(pyridin-2-ylmethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]piperazine-1-carboxamide
CID 99715065
N-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797210

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-cyclopropylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(2R)-1-cyclopropylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (CID 99714063) is N-[(2R)-1-cyclopropylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-cyclopropylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2R)-1-cyclopropylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is C[C@H](CC1CC1)NC(=O)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-[(2R)-1-cyclopropylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is QYVFYWUIPDTALS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N4O/c1-14(12-15-5-6-15)19-17(22)21-10-8-20(9-11-21)13-16-4-2-3-7-18-16/h2-4,7,14-15H,5-6,8-13H2,1H3,(H,19,22)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-cyclopropylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
N-[(2R)-1-cyclopropylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-cyclopropylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 99714063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).