N-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide

C18H28N2O — CID 60807585

IUPACN-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(C(C)C)cc1)C1CCCNC1
InChIInChI=1S/C18H28N2O/c1-4-12-20(17-6-5-11-19-13-17)18(21)16-9-7-15(8-10-16)14(2)3/h7-10,14,17,19H,4-6,11-13H2,1-3H3
InChIKeyPXBPZMUQIREQCN-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.41
Rot. Bonds5

About N-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide

N-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide (PubChem CID 60807585) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide.

Molecular Properties

Compound NameN-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide
PubChem CID60807585
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(C(C)C)cc1)C1CCCNC1
InChIInChI=1S/C18H28N2O/c1-4-12-20(17-6-5-11-19-13-17)18(21)16-9-7-15(8-10-16)14(2)3/h7-10,14,17,19H,4-6,11-13H2,1-3H3
InChIKeyPXBPZMUQIREQCN-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-oxo-N-piperidin-3-yl-N-propyl-1H-pyridine-3-carboxamide
CID 55246260
6-oxo-N-piperidin-3-yl-N-propylpyran-3-carboxamide
CID 63637793
N-piperidin-3-yl-N-propylthiophene-3-carboxamide
CID 55246454
4-fluoro-3-methyl-N-piperidin-3-yl-N-propylbenzamide
CID 63209531
N-(azetidin-3-yl)-N-ethyl-4-propan-2-ylbenzamide
CID 66184231
N-piperidin-3-yl-N-propyl-1H-indole-6-carboxamide
CID 63748800
N-piperidin-3-yl-N-propylpyridine-3-carboxamide
CID 63638133
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
N-piperidin-3-yl-N-propyl-1,2-oxazole-3-carboxamide
CID 63638830
4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119532098
N-ethyl-N-piperidin-4-yl-4-propan-2-ylbenzamide
CID 60805737
N-(2-aminoethyl)-N-cyclopentyl-4-propan-2-ylbenzamide
CID 63755155

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide?
The IUPAC name of N-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide (CID 60807585) is N-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide.
What is the SMILES notation for N-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide?
The canonical SMILES for N-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide is CCCN(C(=O)c1ccc(C(C)C)cc1)C1CCCNC1.
What is the InChIKey of N-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide?
The InChIKey is PXBPZMUQIREQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-12-20(17-6-5-11-19-13-17)18(21)16-9-7-15(8-10-16)14(2)3/h7-10,14,17,19H,4-6,11-13H2,1-3H3.
What are the key properties of N-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide?
N-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide has a molecular weight of 288.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide is sourced from PubChem (CID 60807585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).