N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide

C16H31N3O — CID 103777486

IUPACN-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide
SMILESCC(C)CN1CCC(NCCCC(=O)NC2CC2)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)12-19-10-7-14(8-11-19)17-9-3-4-16(20)18-15-5-6-15/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyLCHFLWTYNAJJNV-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.76
Rot. Bonds8

About N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide

N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide (PubChem CID 103777486) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide
PubChem CID103777486
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide
SMILESCC(C)CN1CCC(NCCCC(=O)NC2CC2)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)12-19-10-7-14(8-11-19)17-9-3-4-16(20)18-15-5-6-15/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyLCHFLWTYNAJJNV-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 71193586
N-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propanamide
CID 103779047
N-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide
CID 102673464
2-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119841092
N-cyclopropyl-4-[(4,4-dimethylcyclohexyl)amino]butanamide
CID 79032428
N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide
CID 79394588
N-cyclopropyl-4-[[ethylamino-[4-(2-methylpropyl)piperazin-1-yl]methylidene]amino]butanamide
CID 111326982
3-(cyclopropylamino)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60866717
2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 83623800
N-[3-(4-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103776314
N-cyclopropyl-3-[(1-ethylazepan-4-yl)amino]propanamide
CID 79393828
1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 110894137

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide (CID 103777486) is N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide is CC(C)CN1CCC(NCCCC(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide?
The InChIKey is LCHFLWTYNAJJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(2)12-19-10-7-14(8-11-19)17-9-3-4-16(20)18-15-5-6-15/h13-15,17H,3-12H2,1-2H3,(H,18,20).
What are the key properties of N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide?
N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide has a molecular weight of 281.44 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide is sourced from PubChem (CID 103777486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).