N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-3-piperidin-3-ylbutanamide

C20H39N3O — CID 119884460

IUPACN-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-3-piperidin-3-ylbutanamide
SMILESCCC1CCCN(C(C)(C)CNC(=O)CC(C)C2CCCNC2)C1
InChIInChI=1S/C20H39N3O/c1-5-17-8-7-11-23(14-17)20(3,4)15-22-19(24)12-16(2)18-9-6-10-21-13-18/h16-18,21H,5-15H2,1-4H3,(H,22,24)
InChIKeyHTDAKOWFQZINSI-UHFFFAOYSA-N
MW337.55 g/mol
LogP3.03
Rot. Bonds7

About N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-3-piperidin-3-ylbutanamide

N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-3-piperidin-3-ylbutanamide (PubChem CID 119884460) has the molecular formula C20H39N3O and a molecular weight of 337.55 g/mol. Its IUPAC name is N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-3-piperidin-3-ylbutanamide
PubChem CID119884460
Molecular FormulaC20H39N3O
Molecular Weight337.55 g/mol
Exact Mass337.31
IUPAC NameN-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-3-piperidin-3-ylbutanamide
SMILESCCC1CCCN(C(C)(C)CNC(=O)CC(C)C2CCCNC2)C1
InChIInChI=1S/C20H39N3O/c1-5-17-8-7-11-23(14-17)20(3,4)15-22-19(24)12-16(2)18-9-6-10-21-13-18/h16-18,21H,5-15H2,1-4H3,(H,22,24)
InChIKeyHTDAKOWFQZINSI-UHFFFAOYSA-N
XLogP3.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.55
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-2-morpholin-4-ylpropyl)-3-piperidin-3-ylbutanamide
CID 119830210
N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 122080829
N-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81044622
N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119884497
N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-(methylamino)acetamide
CID 120704469
N-(2-methyl-2-methylsulfanylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119790992
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
N-(2-oxo-2-piperidin-1-ylethyl)-3-piperidin-3-ylbutanamide
CID 115738352
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119700669
N-[(1-ethylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 81047419
N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide
CID 81043754
N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]butanamide
CID 119761643

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-3-piperidin-3-ylbutanamide (CID 119884460) is N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-3-piperidin-3-ylbutanamide is CCC1CCCN(C(C)(C)CNC(=O)CC(C)C2CCCNC2)C1.
What is the InChIKey of N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-3-piperidin-3-ylbutanamide?
The InChIKey is HTDAKOWFQZINSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O/c1-5-17-8-7-11-23(14-17)20(3,4)15-22-19(24)12-16(2)18-9-6-10-21-13-18/h16-18,21H,5-15H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-3-piperidin-3-ylbutanamide?
N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-3-piperidin-3-ylbutanamide has a molecular weight of 337.55 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119884460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).