N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide

C23H31N5O2 — CID 124961649

IUPACN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(NC[C@]1(O)CCCN(c2cnccn2)C1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C23H31N5O2/c29-22(20-7-5-19(6-8-20)16-27-12-2-1-3-13-27)26-17-23(30)9-4-14-28(18-23)21-15-24-10-11-25-21/h5-8,10-11,15,30H,1-4,9,12-14,16-18H2,(H,26,29)/t23-/m1/s1
InChIKeyHDAYSHJHOBIQIR-HSZRJFAPSA-N
MW409.53 g/mol
LogP2.22
Rot. Bonds6

About N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide

N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 124961649) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
PubChem CID124961649
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC NameN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(NC[C@]1(O)CCCN(c2cnccn2)C1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C23H31N5O2/c29-22(20-7-5-19(6-8-20)16-27-12-2-1-3-13-27)26-17-23(30)9-4-14-28(18-23)21-15-24-10-11-25-21/h5-8,10-11,15,30H,1-4,9,12-14,16-18H2,(H,26,29)/t23-/m1/s1
InChIKeyHDAYSHJHOBIQIR-HSZRJFAPSA-N
XLogP2.22
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-4-(pyrrolidin-1-ylmethyl)benzamide
CID 124983427
N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 110155359
N-[[(3S)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 124989423
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110159152
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 124988701
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-(methoxymethyl)benzamide
CID 110123551
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-(imidazol-1-ylmethyl)benzamide
CID 124957377
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 125000571
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
CID 110123533
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 110123546
2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110123809
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 124977632

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide (CID 124961649) is N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide is O=C(NC[C@]1(O)CCCN(c2cnccn2)C1)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is HDAYSHJHOBIQIR-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H31N5O2/c29-22(20-7-5-19(6-8-20)16-27-12-2-1-3-13-27)26-17-23(30)9-4-14-28(18-23)21-15-24-10-11-25-21/h5-8,10-11,15,30H,1-4,9,12-14,16-18H2,(H,26,29)/t23-/m1/s1.
What are the key properties of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide?
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 409.53 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 124961649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).