2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide

C15H23N3O — CID 38056640

IUPAC2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NCc2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-16-15(19)12-18-9-7-14(8-10-18)17-11-13-5-3-2-4-6-13/h2-6,14,17H,7-12H2,1H3,(H,16,19)
InChIKeyRMMATHFZWJDLRJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.99
Rot. Bonds5

About 2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide

2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide (PubChem CID 38056640) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
PubChem CID38056640
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NCc2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-16-15(19)12-18-9-7-14(8-10-18)17-11-13-5-3-2-4-6-13/h2-6,14,17H,7-12H2,1H3,(H,16,19)
InChIKeyRMMATHFZWJDLRJ-UHFFFAOYSA-N
XLogP0.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(furan-3-ylmethylamino)piperidin-1-yl]-N-methylacetamide
CID 63001894
2-[4-[(2-bromophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 38056666
N-methyl-2-[4-[[3-(3-phenylpropoxy)phenyl]methylamino]piperidin-1-yl]acetamide
CID 119128408
N-benzyl-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124375
N-methyl-2-[4-(naphthalen-1-ylmethylamino)piperidin-1-yl]acetamide;hydrochloride
CID 51079563
2-[4-[(4-bromo-3-methylphenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 66472599
N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 66411136
(2S)-2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119853476
N-methyl-2-[4-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methylamino]piperidin-1-yl]acetamide
CID 136514785
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-phenylmethoxybutanamide
CID 49324541
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
4-(benzylamino)piperidine-1-carboxamide
CID 43757030

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide (CID 38056640) is 2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NCc2ccccc2)CC1.
What is the InChIKey of 2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide?
The InChIKey is RMMATHFZWJDLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-16-15(19)12-18-9-7-14(8-10-18)17-11-13-5-3-2-4-6-13/h2-6,14,17H,7-12H2,1H3,(H,16,19).
What are the key properties of 2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide?
2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide has a molecular weight of 261.37 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 38056640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).