N-[2-[(2S)-butan-2-yl]phenyl]-4-(3-methyl-4-pyridinyl)piperazine-1-carboxamide

C21H28N4O — CID 125164251

IUPACN-[2-[(2S)-butan-2-yl]phenyl]-4-(3-methyl-4-pyridinyl)piperazine-1-carboxamide
SMILESCC[C@H](C)c1ccccc1NC(=O)N1CCN(c2ccncc2C)CC1
InChIInChI=1S/C21H28N4O/c1-4-16(2)18-7-5-6-8-19(18)23-21(26)25-13-11-24(12-14-25)20-9-10-22-15-17(20)3/h5-10,15-16H,4,11-14H2,1-3H3,(H,23,26)/t16-/m0/s1
InChIKeyBRULETQTMJAXHX-INIZCTEOSA-N
MW352.48 g/mol
LogP4.26
Rot. Bonds4

About N-[2-[(2S)-butan-2-yl]phenyl]-4-(3-methyl-4-pyridinyl)piperazine-1-carboxamide

N-[2-[(2S)-butan-2-yl]phenyl]-4-(3-methyl-4-pyridinyl)piperazine-1-carboxamide (PubChem CID 125164251) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[2-[(2S)-butan-2-yl]phenyl]-4-(3-methyl-4-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-butan-2-yl]phenyl]-4-(3-methyl-4-pyridinyl)piperazine-1-carboxamide
PubChem CID125164251
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[2-[(2S)-butan-2-yl]phenyl]-4-(3-methyl-4-pyridinyl)piperazine-1-carboxamide
SMILESCC[C@H](C)c1ccccc1NC(=O)N1CCN(c2ccncc2C)CC1
InChIInChI=1S/C21H28N4O/c1-4-16(2)18-7-5-6-8-19(18)23-21(26)25-13-11-24(12-14-25)20-9-10-22-15-17(20)3/h5-10,15-16H,4,11-14H2,1-3H3,(H,23,26)/t16-/m0/s1
InChIKeyBRULETQTMJAXHX-INIZCTEOSA-N
XLogP4.26
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-butan-2-ylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108532341
methyl 4-[3-[[2-[2-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-4-pyridinyl]piperazine-1-carboxylate
CID 124886454
N-(2-butan-2-ylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108531684
N-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111919
1-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 91838771
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 8582689
4-(3-chloro-4-pyridinyl)-N-[2-(2-methoxyethyl)phenyl]piperazine-1-carboxamide
CID 126794330
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-(2,4-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111461
ethyl 2-[[4-(2-methylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 113111099
N-[(3-methylphenyl)methyl]-4-(3-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 119063057
N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86987118

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-4-(3-methyl-4-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-4-(3-methyl-4-pyridinyl)piperazine-1-carboxamide (CID 125164251) is N-[2-[(2S)-butan-2-yl]phenyl]-4-(3-methyl-4-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-[(2S)-butan-2-yl]phenyl]-4-(3-methyl-4-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-[(2S)-butan-2-yl]phenyl]-4-(3-methyl-4-pyridinyl)piperazine-1-carboxamide is CC[C@H](C)c1ccccc1NC(=O)N1CCN(c2ccncc2C)CC1.
What is the InChIKey of N-[2-[(2S)-butan-2-yl]phenyl]-4-(3-methyl-4-pyridinyl)piperazine-1-carboxamide?
The InChIKey is BRULETQTMJAXHX-INIZCTEOSA-N. The full InChI is InChI=1S/C21H28N4O/c1-4-16(2)18-7-5-6-8-19(18)23-21(26)25-13-11-24(12-14-25)20-9-10-22-15-17(20)3/h5-10,15-16H,4,11-14H2,1-3H3,(H,23,26)/t16-/m0/s1.
What are the key properties of N-[2-[(2S)-butan-2-yl]phenyl]-4-(3-methyl-4-pyridinyl)piperazine-1-carboxamide?
N-[2-[(2S)-butan-2-yl]phenyl]-4-(3-methyl-4-pyridinyl)piperazine-1-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-butan-2-yl]phenyl]-4-(3-methyl-4-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 125164251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).