N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide

C16H31N3O — CID 79394588

IUPACN-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide
SMILESCCN1CCC(C(C)NCCCC(=O)NC2CC2)CC1
InChIInChI=1S/C16H31N3O/c1-3-19-11-8-14(9-12-19)13(2)17-10-4-5-16(20)18-15-6-7-15/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyNVVJKDRRVYKYDX-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.76
Rot. Bonds8

About N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide

N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide (PubChem CID 79394588) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide
PubChem CID79394588
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide
SMILESCCN1CCC(C(C)NCCCC(=O)NC2CC2)CC1
InChIInChI=1S/C16H31N3O/c1-3-19-11-8-14(9-12-19)13(2)17-10-4-5-16(20)18-15-6-7-15/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyNVVJKDRRVYKYDX-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-cyclopropyl-4-(1-cyclopropylethylamino)butanamide
CID 79394178
4-(1-cyclohexylethylamino)-N-cyclopropylbutanamide
CID 79394923
N-cyclopropyl-2-[1-(1-ethylpiperidin-4-yl)ethylamino]acetamide
CID 43568260
N-cyclopropyl-3-[4-[1-(propylamino)ethyl]piperidin-1-yl]propanamide
CID 63853098
N-[1-(1-ethylpiperidin-4-yl)ethyl]butan-1-amine
CID 43307614
N-(1-ethylpiperidin-4-yl)-4-hydroxybutanamide
CID 79192481
N-cyclopropyl-3-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63854650
N-cyclopropyl-4-(hexan-2-ylamino)butanamide
CID 79394095
N-cyclopropyl-4-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]butanamide
CID 79393960
N-cyclopropyl-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]butanamide
CID 103777486
2-[1-(1-ethylpiperidin-4-yl)ethylamino]-N-methylacetamide
CID 43310362
N-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide
CID 79394021

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide?
The IUPAC name of N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide (CID 79394588) is N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide is CCN1CCC(C(C)NCCCC(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide?
The InChIKey is NVVJKDRRVYKYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-19-11-8-14(9-12-19)13(2)17-10-4-5-16(20)18-15-6-7-15/h13-15,17H,3-12H2,1-2H3,(H,18,20).
What are the key properties of N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]butanamide?
N-cyclopropyl-4-[1-(1-ethylpiperidin-4-yl)ethylamino]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-(1-ethylpiperidin-4-yl)ethylamino]butanamide is sourced from PubChem (CID 79394588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).