N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide

C17H24N6O2 — CID 124973495

IUPACN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide
SMILESCN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)CCn1ccnc1
InChIInChI=1S/C17H24N6O2/c1-21(16(24)3-9-22-10-7-19-14-22)12-17(25)4-2-8-23(13-17)15-11-18-5-6-20-15/h5-7,10-11,14,25H,2-4,8-9,12-13H2,1H3/t17-/m0/s1
InChIKeyKKKFNTXHFVYDFF-KRWDZBQOSA-N
MW344.42 g/mol
LogP0.55
Rot. Bonds6

About N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide

N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide (PubChem CID 124973495) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide
PubChem CID124973495
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide
SMILESCN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)CCn1ccnc1
InChIInChI=1S/C17H24N6O2/c1-21(16(24)3-9-22-10-7-19-14-22)12-17(25)4-2-8-23(13-17)15-11-18-5-6-20-15/h5-7,10-11,14,25H,2-4,8-9,12-13H2,1H3/t17-/m0/s1
InChIKeyKKKFNTXHFVYDFF-KRWDZBQOSA-N
XLogP0.55
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide
CID 125000869
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide
CID 124972319
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 110123503
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-3-(5-methylpyrazol-1-yl)propanamide
CID 110158678
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-imidazol-1-ylbutanamide
CID 124965049
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 124958674
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 124991776
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-5-carboxamide
CID 110123469
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,2-dimethylpyrimidine-5-carboxamide
CID 110123575
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide
CID 124973541
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 124942401
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 125015140

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide?
The IUPAC name of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide (CID 124973495) is N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide.
What is the SMILES notation for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide?
The canonical SMILES for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide is CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)CCn1ccnc1.
What is the InChIKey of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide?
The InChIKey is KKKFNTXHFVYDFF-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-21(16(24)3-9-22-10-7-19-14-22)12-17(25)4-2-8-23(13-17)15-11-18-5-6-20-15/h5-7,10-11,14,25H,2-4,8-9,12-13H2,1H3/t17-/m0/s1.
What are the key properties of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide?
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide has a molecular weight of 344.42 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-imidazol-1-yl-N-methylpropanamide is sourced from PubChem (CID 124973495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).