(2S)-N-(6-methyl-3-pyridinyl)-1-(4-phenylbutanoyl)piperazine-2-carboxamide

C21H26N4O2 — CID 95725095

IUPAC(2S)-N-(6-methyl-3-pyridinyl)-1-(4-phenylbutanoyl)piperazine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CNCCN2C(=O)CCCc2ccccc2)cn1
InChIInChI=1S/C21H26N4O2/c1-16-10-11-18(14-23-16)24-21(27)19-15-22-12-13-25(19)20(26)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-11,14,19,22H,5,8-9,12-13,15H2,1H3,(H,24,27)/t19-/m0/s1
InChIKeyMKNLFXLMVSKKII-IBGZPJMESA-N
MW366.46 g/mol
LogP2.15
Rot. Bonds6

About (2S)-N-(6-methyl-3-pyridinyl)-1-(4-phenylbutanoyl)piperazine-2-carboxamide

(2S)-N-(6-methyl-3-pyridinyl)-1-(4-phenylbutanoyl)piperazine-2-carboxamide (PubChem CID 95725095) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is (2S)-N-(6-methyl-3-pyridinyl)-1-(4-phenylbutanoyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(6-methyl-3-pyridinyl)-1-(4-phenylbutanoyl)piperazine-2-carboxamide
PubChem CID95725095
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name(2S)-N-(6-methyl-3-pyridinyl)-1-(4-phenylbutanoyl)piperazine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CNCCN2C(=O)CCCc2ccccc2)cn1
InChIInChI=1S/C21H26N4O2/c1-16-10-11-18(14-23-16)24-21(27)19-15-22-12-13-25(19)20(26)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-11,14,19,22H,5,8-9,12-13,15H2,1H3,(H,24,27)/t19-/m0/s1
InChIKeyMKNLFXLMVSKKII-IBGZPJMESA-N
XLogP2.15
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-1-[(2S)-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]butan-1-one
CID 95717871
1-(3-methylfuran-2-carbonyl)-N-(6-methyl-3-pyridinyl)piperazine-2-carboxamide
CID 56887634
1-[4-(4-chloro-2-methylphenoxy)butanoyl]-N-naphthalen-2-ylpiperazine-2-carboxamide
CID 10183397
(2S)-1-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-2-carboxamide
CID 124968608
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 120734991
(2S)-1-acetyl-N-(2-phenylethyl)piperazine-2-carboxamide
CID 124958895
(2S)-N-(4-fluorophenyl)-1-(2-pyridin-4-ylsulfanylacetyl)piperazine-2-carboxamide
CID 95723495
1-(2-methylpiperazin-1-yl)-4-(2-phenylethoxy)butan-1-one
CID 119471180
2-[(6-methyl-3-pyridinyl)oxymethyl]-N-(4-phenoxyphenyl)piperazine-1-carboxamide;dihydrochloride
CID 66797414
N-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide
CID 56887539
3-phenyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82246033
methyl (2S)-1-[(2S)-1-(4-phenylbutanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 14013749

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-methyl-3-pyridinyl)-1-(4-phenylbutanoyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-N-(6-methyl-3-pyridinyl)-1-(4-phenylbutanoyl)piperazine-2-carboxamide (CID 95725095) is (2S)-N-(6-methyl-3-pyridinyl)-1-(4-phenylbutanoyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-N-(6-methyl-3-pyridinyl)-1-(4-phenylbutanoyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-N-(6-methyl-3-pyridinyl)-1-(4-phenylbutanoyl)piperazine-2-carboxamide is Cc1ccc(NC(=O)[C@@H]2CNCCN2C(=O)CCCc2ccccc2)cn1.
What is the InChIKey of (2S)-N-(6-methyl-3-pyridinyl)-1-(4-phenylbutanoyl)piperazine-2-carboxamide?
The InChIKey is MKNLFXLMVSKKII-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N4O2/c1-16-10-11-18(14-23-16)24-21(27)19-15-22-12-13-25(19)20(26)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-11,14,19,22H,5,8-9,12-13,15H2,1H3,(H,24,27)/t19-/m0/s1.
What are the key properties of (2S)-N-(6-methyl-3-pyridinyl)-1-(4-phenylbutanoyl)piperazine-2-carboxamide?
(2S)-N-(6-methyl-3-pyridinyl)-1-(4-phenylbutanoyl)piperazine-2-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-methyl-3-pyridinyl)-1-(4-phenylbutanoyl)piperazine-2-carboxamide is sourced from PubChem (CID 95725095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).