4-piperidin-1-yl-N-propan-2-yl-3-propylbenzamide

C18H28N2O — CID 91508889

IUPAC4-piperidin-1-yl-N-propan-2-yl-3-propylbenzamide
SMILESCCCc1cc(C(=O)NC(C)C)ccc1N1CCCCC1
InChIInChI=1S/C18H28N2O/c1-4-8-15-13-16(18(21)19-14(2)3)9-10-17(15)20-11-6-5-7-12-20/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,19,21)
InChIKeyFXGWMSNBNRDIFF-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.77
Rot. Bonds5

About 4-piperidin-1-yl-N-propan-2-yl-3-propylbenzamide

4-piperidin-1-yl-N-propan-2-yl-3-propylbenzamide (PubChem CID 91508889) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-piperidin-1-yl-N-propan-2-yl-3-propylbenzamide.

Molecular Properties

Compound Name4-piperidin-1-yl-N-propan-2-yl-3-propylbenzamide
PubChem CID91508889
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-piperidin-1-yl-N-propan-2-yl-3-propylbenzamide
SMILESCCCc1cc(C(=O)NC(C)C)ccc1N1CCCCC1
InChIInChI=1S/C18H28N2O/c1-4-8-15-13-16(18(21)19-14(2)3)9-10-17(15)20-11-6-5-7-12-20/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,19,21)
InChIKeyFXGWMSNBNRDIFF-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-nitro-4-piperidin-1-yl-N-propan-2-ylbenzamide
CID 4806694
N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide
CID 168512289
4-(azepan-1-yl)-3-nitro-N-pentan-3-ylbenzamide
CID 7922673
1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 58575703
N-butan-2-yl-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide
CID 5164711
4-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-3-nitro-N-propan-2-ylbenzamide
CID 35919851
4-(4-methylpiperazin-1-yl)-3-nitro-N-propan-2-ylbenzamide
CID 35869005
N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349269
2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
CID 20889589
4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide
CID 17091477
1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one
CID 117309875
N-(1-hydroxybutan-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 110878190

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-N-propan-2-yl-3-propylbenzamide?
The IUPAC name of 4-piperidin-1-yl-N-propan-2-yl-3-propylbenzamide (CID 91508889) is 4-piperidin-1-yl-N-propan-2-yl-3-propylbenzamide.
What is the SMILES notation for 4-piperidin-1-yl-N-propan-2-yl-3-propylbenzamide?
The canonical SMILES for 4-piperidin-1-yl-N-propan-2-yl-3-propylbenzamide is CCCc1cc(C(=O)NC(C)C)ccc1N1CCCCC1.
What is the InChIKey of 4-piperidin-1-yl-N-propan-2-yl-3-propylbenzamide?
The InChIKey is FXGWMSNBNRDIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-8-15-13-16(18(21)19-14(2)3)9-10-17(15)20-11-6-5-7-12-20/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,19,21).
What are the key properties of 4-piperidin-1-yl-N-propan-2-yl-3-propylbenzamide?
4-piperidin-1-yl-N-propan-2-yl-3-propylbenzamide has a molecular weight of 288.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-N-propan-2-yl-3-propylbenzamide is sourced from PubChem (CID 91508889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).