N-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen

C12H29N3O — CID 144983646

IUPACN-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen
SMILESCC.CCCCNC(=O)N1CCN(C)CC1.[H][H]
InChIInChI=1S/C10H21N3O.C2H6.H2/c1-3-4-5-11-10(14)13-8-6-12(2)7-9-13;1-2;/h3-9H2,1-2H3,(H,11,14);1-2H3;1H
InChIKeyCUDXZNILCPZPDL-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.02
Rot. Bonds3

About N-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen

N-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen (PubChem CID 144983646) has the molecular formula C12H29N3O and a molecular weight of 231.38 g/mol. Its IUPAC name is N-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen.

Molecular Properties

Compound NameN-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen
PubChem CID144983646
Molecular FormulaC12H29N3O
Molecular Weight231.38 g/mol
Exact Mass231.23
IUPAC NameN-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen
SMILESCC.CCCCNC(=O)N1CCN(C)CC1.[H][H]
InChIInChI=1S/C10H21N3O.C2H6.H2/c1-3-4-5-11-10(14)13-8-6-12(2)7-9-13;1-2;/h3-9H2,1-2H3,(H,11,14);1-2H3;1H
InChIKeyCUDXZNILCPZPDL-UHFFFAOYSA-N
XLogP2.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butylaziridine-1-carboxamide
CID 55206947
N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113103857
ethane;N-ethyl-4-methylpiperazine-1-carboxamide
CID 162757758
N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide
CID 16758
N-butyl-3-(4-methylpiperazin-1-yl)propanamide
CID 109012187
2-(4-methylpiperazin-1-yl)-2-oxo-N-pentylacetamide
CID 108517060
N-butyl-4-tert-butylpiperidine-1-carboxamide
CID 113237148
2-[4-(butylcarbamoyl)-1,4-diazepan-1-yl]acetic acid
CID 62824119
tert-butyl 4-(hexylcarbamoyl)piperazine-1-carboxylate
CID 46743121
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
3-[(4-methyl-1,4-diazepane-1-carbonyl)amino]propanoic acid
CID 61193497
N-butyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 113103875

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen?
The IUPAC name of N-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen (CID 144983646) is N-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen.
What is the SMILES notation for N-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen?
The canonical SMILES for N-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen is CC.CCCCNC(=O)N1CCN(C)CC1.[H][H].
What is the InChIKey of N-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen?
The InChIKey is CUDXZNILCPZPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O.C2H6.H2/c1-3-4-5-11-10(14)13-8-6-12(2)7-9-13;1-2;/h3-9H2,1-2H3,(H,11,14);1-2H3;1H.
What are the key properties of N-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen?
N-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen has a molecular weight of 231.38 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen is sourced from PubChem (CID 144983646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).