(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide

C19H28N2O2 — CID 94010550

IUPAC(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
SMILESCCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1
InChIInChI=1S/C19H28N2O2/c1-4-5-8-20-18(22)16-7-6-9-21(13-16)19(23)17-11-14(2)10-15(3)12-17/h10-12,16H,4-9,13H2,1-3H3,(H,20,22)/t16-/m1/s1
InChIKeyDMVDWXKMIDTKTK-MRXNPFEDSA-N
MW316.45 g/mol
LogP3.07
Rot. Bonds5

About (3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide

(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide (PubChem CID 94010550) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is (3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
PubChem CID94010550
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
SMILESCCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1
InChIInChI=1S/C19H28N2O2/c1-4-5-8-20-18(22)16-7-6-9-21(13-16)19(23)17-11-14(2)10-15(3)12-17/h10-12,16H,4-9,13H2,1-3H3,(H,20,22)/t16-/m1/s1
InChIKeyDMVDWXKMIDTKTK-MRXNPFEDSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethylbenzoyl)-N-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 119430235
1-(3,5-dimethylbenzoyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 60559969
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119500647
(3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94010780
1-(3,5-dimethylbenzoyl)-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide
CID 119391295
1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide
CID 49407564
N-butyl-1-(5-methylsulfonylthiophene-3-carbonyl)piperidine-3-carboxamide
CID 136519093
1-benzoyl-N-octylpiperidine-3-carboxamide
CID 70028584
1-(3,5-dimethylbenzoyl)-N-[2-(tetrazol-2-yl)ethyl]piperidine-3-carboxamide
CID 127478959
1-(3,5-dimethylbenzoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
CID 119555717
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide
CID 120829554
1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 55789576

Frequently Asked Questions

What is the IUPAC name of (3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide (CID 94010550) is (3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide is CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1.
What is the InChIKey of (3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
The InChIKey is DMVDWXKMIDTKTK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-5-8-20-18(22)16-7-6-9-21(13-16)19(23)17-11-14(2)10-15(3)12-17/h10-12,16H,4-9,13H2,1-3H3,(H,20,22)/t16-/m1/s1.
What are the key properties of (3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide?
(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 94010550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).