(5S)-N-(1-benzylpiperidin-4-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

C23H27N5O2 — CID 39895861

IUPAC(5S)-N-(1-benzylpiperidin-4-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESC[C@@H]1N=C(C(=O)NC2CCN(Cc3ccccc3)CC2)NN(c2ccccc2)C1=O
InChIInChI=1S/C23H27N5O2/c1-17-23(30)28(20-10-6-3-7-11-20)26-21(24-17)22(29)25-19-12-14-27(15-13-19)16-18-8-4-2-5-9-18/h2-11,17,19H,12-16H2,1H3,(H,24,26)(H,25,29)/t17-/m0/s1
InChIKeyPROZCSZSWXDMTO-KRWDZBQOSA-N
MW405.50 g/mol
LogP2.11
Rot. Bonds5

About (5S)-N-(1-benzylpiperidin-4-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

(5S)-N-(1-benzylpiperidin-4-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (PubChem CID 39895861) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is (5S)-N-(1-benzylpiperidin-4-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.

Molecular Properties

Compound Name(5S)-N-(1-benzylpiperidin-4-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
PubChem CID39895861
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name(5S)-N-(1-benzylpiperidin-4-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESC[C@@H]1N=C(C(=O)NC2CCN(Cc3ccccc3)CC2)NN(c2ccccc2)C1=O
InChIInChI=1S/C23H27N5O2/c1-17-23(30)28(20-10-6-3-7-11-20)26-21(24-17)22(29)25-19-12-14-27(15-13-19)16-18-8-4-2-5-9-18/h2-11,17,19H,12-16H2,1H3,(H,24,26)(H,25,29)/t17-/m0/s1
InChIKeyPROZCSZSWXDMTO-KRWDZBQOSA-N
XLogP2.11
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5S)-N-(1-benzylpiperidin-4-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide with MolForge

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Related Compounds

(5S)-N-[(3S)-1-benzylpyrrolidin-3-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 51942915
5-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 55677777
(5R)-3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
CID 39950771
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 136516476
3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
CID 55990598
N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692501
N-(1-benzylpiperidin-4-yl)-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 56701761
(5R)-N-[(2R)-1-methoxypropan-2-yl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 39900316
5-methyl-N-[(3-nitrophenyl)methyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 86853274
N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide
CID 25333072
(3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 94493957
5-methyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 43072459

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(1-benzylpiperidin-4-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The IUPAC name of (5S)-N-(1-benzylpiperidin-4-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (CID 39895861) is (5S)-N-(1-benzylpiperidin-4-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.
What is the SMILES notation for (5S)-N-(1-benzylpiperidin-4-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The canonical SMILES for (5S)-N-(1-benzylpiperidin-4-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is C[C@@H]1N=C(C(=O)NC2CCN(Cc3ccccc3)CC2)NN(c2ccccc2)C1=O.
What is the InChIKey of (5S)-N-(1-benzylpiperidin-4-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The InChIKey is PROZCSZSWXDMTO-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-17-23(30)28(20-10-6-3-7-11-20)26-21(24-17)22(29)25-19-12-14-27(15-13-19)16-18-8-4-2-5-9-18/h2-11,17,19H,12-16H2,1H3,(H,24,26)(H,25,29)/t17-/m0/s1.
What are the key properties of (5S)-N-(1-benzylpiperidin-4-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
(5S)-N-(1-benzylpiperidin-4-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(1-benzylpiperidin-4-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 39895861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).