N-[3-(dimethylamino)propyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide

C19H31N3O — CID 43926238

IUPACN-[3-(dimethylamino)propyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CN1CCCC(C(=O)NCCCN(C)C)C1
InChIInChI=1S/C19H31N3O/c1-16-8-4-5-9-17(16)14-22-13-6-10-18(15-22)19(23)20-11-7-12-21(2)3/h4-5,8-9,18H,6-7,10-15H2,1-3H3,(H,20,23)
InChIKeySSKNYDAULSJPGA-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.27
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide

N-[3-(dimethylamino)propyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43926238) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID43926238
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN-[3-(dimethylamino)propyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1CN1CCCC(C(=O)NCCCN(C)C)C1
InChIInChI=1S/C19H31N3O/c1-16-8-4-5-9-17(16)14-22-13-6-10-18(15-22)19(23)20-11-7-12-21(2)3/h4-5,8-9,18H,6-7,10-15H2,1-3H3,(H,20,23)
InChIKeySSKNYDAULSJPGA-UHFFFAOYSA-N
XLogP2.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.27
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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Related Compounds

N-[3-(dimethylamino)propyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929674
N-(3-imidazol-1-ylpropyl)-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925978
N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924153
N-cyclopentyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918554
N-[2-(butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925218
1-[(2-methylphenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917314
N-(2-aminoethyl)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
CID 104869329
1-acetyl-N-[3-(dimethylamino)propyl]piperidine-3-carboxamide
CID 110686073
N-(3-ethoxypropyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43923972
N-[3-(dimethylamino)propyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931739
N-(2-aminoethyl)-1-[(2-bromophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916870
1-[(4-chlorophenyl)methyl]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 43922965

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide (CID 43926238) is N-[3-(dimethylamino)propyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccccc1CN1CCCC(C(=O)NCCCN(C)C)C1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is SSKNYDAULSJPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-16-8-4-5-9-17(16)14-22-13-6-10-18(15-22)19(23)20-11-7-12-21(2)3/h4-5,8-9,18H,6-7,10-15H2,1-3H3,(H,20,23).
What are the key properties of N-[3-(dimethylamino)propyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide?
N-[3-(dimethylamino)propyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 317.48 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43926238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).