N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide

C20H39N3O — CID 119852765

IUPACN-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide
SMILESCC1CC(C)CN(CCCCNC(=O)CC(C)C2CCCNC2)C1
InChIInChI=1S/C20H39N3O/c1-16-11-17(2)15-23(14-16)10-5-4-9-22-20(24)12-18(3)19-7-6-8-21-13-19/h16-19,21H,4-15H2,1-3H3,(H,22,24)
InChIKeyPPHUVAISNFIQKA-UHFFFAOYSA-N
MW337.55 g/mol
LogP2.89
Rot. Bonds8

About N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide

N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide (PubChem CID 119852765) has the molecular formula C20H39N3O and a molecular weight of 337.55 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide
PubChem CID119852765
Molecular FormulaC20H39N3O
Molecular Weight337.55 g/mol
Exact Mass337.31
IUPAC NameN-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide
SMILESCC1CC(C)CN(CCCCNC(=O)CC(C)C2CCCNC2)C1
InChIInChI=1S/C20H39N3O/c1-16-11-17(2)15-23(14-16)10-5-4-9-22-20(24)12-18(3)19-7-6-8-21-13-19/h16-19,21H,4-15H2,1-3H3,(H,22,24)
InChIKeyPPHUVAISNFIQKA-UHFFFAOYSA-N
XLogP2.89
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.55
LogP ≤ 52.89
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-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide
CID 119852423
3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 119835530
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid
CID 115867286
2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044471
N-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide
CID 81043564
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724260
N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119728333
N-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119827786
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434
N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide
CID 119779510

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide (CID 119852765) is N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide is CC1CC(C)CN(CCCCNC(=O)CC(C)C2CCCNC2)C1.
What is the InChIKey of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide?
The InChIKey is PPHUVAISNFIQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O/c1-16-11-17(2)15-23(14-16)10-5-4-9-22-20(24)12-18(3)19-7-6-8-21-13-19/h16-19,21H,4-15H2,1-3H3,(H,22,24).
What are the key properties of N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide?
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide has a molecular weight of 337.55 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119852765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).