N-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide

C19H37N3O — CID 119852423

IUPACN-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide
SMILESCC1CCN(CCCCNC(=O)CC(C)C2CCCNC2)CC1
InChIInChI=1S/C19H37N3O/c1-16-7-12-22(13-8-16)11-4-3-10-21-19(23)14-17(2)18-6-5-9-20-15-18/h16-18,20H,3-15H2,1-2H3,(H,21,23)
InChIKeyGMHAPICGHNQQPS-UHFFFAOYSA-N
MW323.53 g/mol
LogP2.64
Rot. Bonds8

About N-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide

N-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide (PubChem CID 119852423) has the molecular formula C19H37N3O and a molecular weight of 323.53 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide
PubChem CID119852423
Molecular FormulaC19H37N3O
Molecular Weight323.53 g/mol
Exact Mass323.29
IUPAC NameN-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide
SMILESCC1CCN(CCCCNC(=O)CC(C)C2CCCNC2)CC1
InChIInChI=1S/C19H37N3O/c1-16-7-12-22(13-8-16)11-4-3-10-21-19(23)14-17(2)18-6-5-9-20-15-18/h16-18,20H,3-15H2,1-2H3,(H,21,23)
InChIKeyGMHAPICGHNQQPS-UHFFFAOYSA-N
XLogP2.64
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 52.64
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-(3,5-dimethylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide
CID 119852765
3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 119835530
N-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide
CID 81043564
N-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119827786
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid
CID 115867286
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671581
N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide
CID 119852387
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
3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide
CID 81048676

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide (CID 119852423) is N-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide is CC1CCN(CCCCNC(=O)CC(C)C2CCCNC2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide?
The InChIKey is GMHAPICGHNQQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O/c1-16-7-12-22(13-8-16)11-4-3-10-21-19(23)14-17(2)18-6-5-9-20-15-18/h16-18,20H,3-15H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide?
N-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide has a molecular weight of 323.53 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119852423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).