(2S)-2-methyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide

C16H20N4O — CID 128810991

IUPAC(2S)-2-methyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide
SMILESC[C@H]1CNCCN1C(=O)NCc1ccc2ncccc2c1
InChIInChI=1S/C16H20N4O/c1-12-10-17-7-8-20(12)16(21)19-11-13-4-5-15-14(9-13)3-2-6-18-15/h2-6,9,12,17H,7-8,10-11H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyNXLOSVKXOMIERA-LBPRGKRZSA-N
MW284.36 g/mol
LogP1.74
Rot. Bonds2

About (2S)-2-methyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide

(2S)-2-methyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide (PubChem CID 128810991) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S)-2-methyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide
PubChem CID128810991
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(2S)-2-methyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide
SMILESC[C@H]1CNCCN1C(=O)NCc1ccc2ncccc2c1
InChIInChI=1S/C16H20N4O/c1-12-10-17-7-8-20(12)16(21)19-11-13-4-5-15-14(9-13)3-2-6-18-15/h2-6,9,12,17H,7-8,10-11H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyNXLOSVKXOMIERA-LBPRGKRZSA-N
XLogP1.74
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-methyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone
CID 82705265
4-methylsulfonyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide
CID 136538713
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
CID 110470774
(2R)-2-methyl-N-(2-naphthalen-1-yloxyethyl)piperazine-1-carboxamide
CID 131918490
6-[(1-methyl-1,4-diazepan-6-yl)methyl]quinoline
CID 86344482
6-[2-(1-methylpiperazin-2-yl)ethyl]quinoline
CID 116997360
1-(quinoline-6-carbonyl)piperazine-2-carbonitrile
CID 79086471
1-[[(2S)-4-methylmorpholin-2-yl]methyl]-3-(quinolin-6-ylmethyl)urea
CID 99840657
1-methyl-4-phenyl-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide
CID 118792538
2-methyl-N-(quinolin-6-ylmethyl)benzamide
CID 110472091
6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025620
1-(quinolin-6-ylmethyl)piperazine-2-carbonitrile
CID 79086115

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of (2S)-2-methyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide (CID 128810991) is (2S)-2-methyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for (2S)-2-methyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for (2S)-2-methyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide is C[C@H]1CNCCN1C(=O)NCc1ccc2ncccc2c1.
What is the InChIKey of (2S)-2-methyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide?
The InChIKey is NXLOSVKXOMIERA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-10-17-7-8-20(12)16(21)19-11-13-4-5-15-14(9-13)3-2-6-18-15/h2-6,9,12,17H,7-8,10-11H2,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of (2S)-2-methyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide?
(2S)-2-methyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-(quinolin-6-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 128810991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).