N,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide

C16H25N3O — CID 62655654

IUPACN,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide
SMILESCN(C)C(=O)c1ccc(NCC2CCCCN2C)cc1
InChIInChI=1S/C16H25N3O/c1-18(2)16(20)13-7-9-14(10-8-13)17-12-15-6-4-5-11-19(15)3/h7-10,15,17H,4-6,11-12H2,1-3H3
InChIKeyYFDWYQXTPNUNIG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.28
Rot. Bonds4

About N,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide

N,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide (PubChem CID 62655654) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide
PubChem CID62655654
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide
SMILESCN(C)C(=O)c1ccc(NCC2CCCCN2C)cc1
InChIInChI=1S/C16H25N3O/c1-18(2)16(20)13-7-9-14(10-8-13)17-12-15-6-4-5-11-19(15)3/h7-10,15,17H,4-6,11-12H2,1-3H3
InChIKeyYFDWYQXTPNUNIG-UHFFFAOYSA-N
XLogP2.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,4-trimethyl-3-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62656532
2-chloro-5-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 62657718
N,N-dimethyl-6-[(1-methylpiperidin-2-yl)methylamino]pyrazine-2-carboxamide
CID 131906638
4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62656703
4-cyclopentylsulfanyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 63445652
2-chloro-4-[(1-methylpiperidin-2-yl)methylamino]phenol
CID 107678243
2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]phenol
CID 107700090
3-chloro-4-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 55181036
N-[(1-methylpiperidin-2-yl)methyl]-4-pentylaniline
CID 63421140
4-ethylsulfonyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 106027245
3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62656714
4-(3-hydroxy-3-methylbutyl)-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide
CID 95873116

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide?
The IUPAC name of N,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide (CID 62655654) is N,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide is CN(C)C(=O)c1ccc(NCC2CCCCN2C)cc1.
What is the InChIKey of N,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide?
The InChIKey is YFDWYQXTPNUNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18(2)16(20)13-7-9-14(10-8-13)17-12-15-6-4-5-11-19(15)3/h7-10,15,17H,4-6,11-12H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide?
N,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide has a molecular weight of 275.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide is sourced from PubChem (CID 62655654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).