(2S)-1-N,4-N-dihexyl-2-methylpiperazine-1,4-dicarboxamide

C19H38N4O2 — CID 27255411

IUPAC(2S)-1-N,4-N-dihexyl-2-methylpiperazine-1,4-dicarboxamide
SMILESCCCCCCNC(=O)N1CCN(C(=O)NCCCCCC)[C@@H](C)C1
InChIInChI=1S/C19H38N4O2/c1-4-6-8-10-12-20-18(24)22-14-15-23(17(3)16-22)19(25)21-13-11-9-7-5-2/h17H,4-16H2,1-3H3,(H,20,24)(H,21,25)/t17-/m0/s1
InChIKeySAVIHLYIANNRGW-KRWDZBQOSA-N
MW354.54 g/mol
LogP3.57
Rot. Bonds10

About (2S)-1-N,4-N-dihexyl-2-methylpiperazine-1,4-dicarboxamide

(2S)-1-N,4-N-dihexyl-2-methylpiperazine-1,4-dicarboxamide (PubChem CID 27255411) has the molecular formula C19H38N4O2 and a molecular weight of 354.54 g/mol. Its IUPAC name is (2S)-1-N,4-N-dihexyl-2-methylpiperazine-1,4-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N,4-N-dihexyl-2-methylpiperazine-1,4-dicarboxamide
PubChem CID27255411
Molecular FormulaC19H38N4O2
Molecular Weight354.54 g/mol
Exact Mass354.30
IUPAC Name(2S)-1-N,4-N-dihexyl-2-methylpiperazine-1,4-dicarboxamide
SMILESCCCCCCNC(=O)N1CCN(C(=O)NCCCCCC)[C@@H](C)C1
InChIInChI=1S/C19H38N4O2/c1-4-6-8-10-12-20-18(24)22-14-15-23(17(3)16-22)19(25)21-13-11-9-7-5-2/h17H,4-16H2,1-3H3,(H,20,24)(H,21,25)/t17-/m0/s1
InChIKeySAVIHLYIANNRGW-KRWDZBQOSA-N
XLogP3.57
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Piperazinecarboxamide, N,4-dicyclohexyl-
CID 1247123
N-cyclohexylpiperazine-1-carboxamide hydrochloride
CID 24746865
3,3'-Hexamethylenebis(1,1-dipropylurea)
CID 3141105
N-[2-(diethylamino)ethyl](cyclohexylamino)carboxamide
CID 2054543
1-Dodecyl-3-piperidin-4-ylurea
CID 58973013
3,3'-Hexamethylenebis(1,1-dibutylurea)
CID 3357811
N-cyclohexyl-4-[2-(cyclohexylcarbamoylamino)ethyl]piperazine-1-carboxamide
CID 655271
N-cyclohexyl-4-methylpiperazine-1-carboxamide
CID 306772
Urea, N,N''-1,4-cyclohexanediylbis[N',N'-diethyl-
CID 116786
N,N''-(1,4-Piperazinediyldi-3,1-propanediyl)dibutylurea
CID 96937
Urea, N,N''-(1,4-piperazinediyldi-3,1-propanediyl)bis(N'-ethyl-
CID 3043227
1-Piperidinecarboxamide, 3-amino-N,N-dimethyl-
CID 21482877

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N,4-N-dihexyl-2-methylpiperazine-1,4-dicarboxamide?
The IUPAC name of (2S)-1-N,4-N-dihexyl-2-methylpiperazine-1,4-dicarboxamide (CID 27255411) is (2S)-1-N,4-N-dihexyl-2-methylpiperazine-1,4-dicarboxamide.
What is the SMILES notation for (2S)-1-N,4-N-dihexyl-2-methylpiperazine-1,4-dicarboxamide?
The canonical SMILES for (2S)-1-N,4-N-dihexyl-2-methylpiperazine-1,4-dicarboxamide is CCCCCCNC(=O)N1CCN(C(=O)NCCCCCC)[C@@H](C)C1.
What is the InChIKey of (2S)-1-N,4-N-dihexyl-2-methylpiperazine-1,4-dicarboxamide?
The InChIKey is SAVIHLYIANNRGW-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H38N4O2/c1-4-6-8-10-12-20-18(24)22-14-15-23(17(3)16-22)19(25)21-13-11-9-7-5-2/h17H,4-16H2,1-3H3,(H,20,24)(H,21,25)/t17-/m0/s1.
What are the key properties of (2S)-1-N,4-N-dihexyl-2-methylpiperazine-1,4-dicarboxamide?
(2S)-1-N,4-N-dihexyl-2-methylpiperazine-1,4-dicarboxamide has a molecular weight of 354.54 g/mol, XLogP of 3.57, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N,4-N-dihexyl-2-methylpiperazine-1,4-dicarboxamide is sourced from PubChem (CID 27255411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).