(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide

C21H27N5O — CID 37070977

IUPAC(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C21H27N5O/c27-21(17-5-4-14-26(16-17)20-15-22-10-11-23-20)24-18-6-8-19(9-7-18)25-12-2-1-3-13-25/h6-11,15,17H,1-5,12-14,16H2,(H,24,27)/t17-/m0/s1
InChIKeyMCZLDIHEXSCYLB-KRWDZBQOSA-N
MW365.48 g/mol
LogP3.32
Rot. Bonds4

About (3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide

(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 37070977) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is (3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID37070977
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C21H27N5O/c27-21(17-5-4-14-26(16-17)20-15-22-10-11-23-20)24-18-6-8-19(9-7-18)25-12-2-1-3-13-25/h6-11,15,17H,1-5,12-14,16H2,(H,24,27)/t17-/m0/s1
InChIKeyMCZLDIHEXSCYLB-KRWDZBQOSA-N
XLogP3.32
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 47024919
(3R)-N-(4-morpholin-4-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36997778
(3R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37165093
(3S)-N-(6-methoxy-3-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36981777
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42954768
N-(3-methyl-4-pyridin-3-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 166280142
(3R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37025382
N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46573311
(3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94632049
(3S)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94632050
1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 46573508
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 37070977) is (3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(c2cnccn2)C1.
What is the InChIKey of (3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is MCZLDIHEXSCYLB-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27N5O/c27-21(17-5-4-14-26(16-17)20-15-22-10-11-23-20)24-18-6-8-19(9-7-18)25-12-2-1-3-13-25/h6-11,15,17H,1-5,12-14,16H2,(H,24,27)/t17-/m0/s1.
What are the key properties of (3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 37070977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).