N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide

C18H29N3O — CID 119857551

IUPACN-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H29N3O/c1-19-12-6-11-18(22)20(2)17-10-7-13-21(15-17)14-16-8-4-3-5-9-16/h3-5,8-9,17,19H,6-7,10-15H2,1-2H3
InChIKeyCNSVXZAVDMTKRA-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.11
Rot. Bonds7

About N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide

N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide (PubChem CID 119857551) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide
PubChem CID119857551
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H29N3O/c1-19-12-6-11-18(22)20(2)17-10-7-13-21(15-17)14-16-8-4-3-5-9-16/h3-5,8-9,17,19H,6-7,10-15H2,1-2H3
InChIKeyCNSVXZAVDMTKRA-UHFFFAOYSA-N
XLogP2.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide (CID 119857551) is N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide is CNCCCC(=O)N(C)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide?
The InChIKey is CNSVXZAVDMTKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-19-12-6-11-18(22)20(2)17-10-7-13-21(15-17)14-16-8-4-3-5-9-16/h3-5,8-9,17,19H,6-7,10-15H2,1-2H3.
What are the key properties of N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide?
N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide has a molecular weight of 303.45 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide is sourced from PubChem (CID 119857551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).