N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide

C21H34N2O3 — CID 119825767

IUPACN-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide
SMILESCCCOc1ccc(C(=O)N(CCC)C2CCNCC2)cc1OCCC
InChIInChI=1S/C21H34N2O3/c1-4-13-23(18-9-11-22-12-10-18)21(24)17-7-8-19(25-14-5-2)20(16-17)26-15-6-3/h7-8,16,18,22H,4-6,9-15H2,1-3H3
InChIKeyKIJGXBLYJVKUGL-UHFFFAOYSA-N
MW362.51 g/mol
LogP3.87
Rot. Bonds10

About N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide

N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide (PubChem CID 119825767) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide.

Molecular Properties

Compound NameN-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide
PubChem CID119825767
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC NameN-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide
SMILESCCCOc1ccc(C(=O)N(CCC)C2CCNCC2)cc1OCCC
InChIInChI=1S/C21H34N2O3/c1-4-13-23(18-9-11-22-12-10-18)21(24)17-7-8-19(25-14-5-2)20(16-17)26-15-6-3/h7-8,16,18,22H,4-6,9-15H2,1-3H3
InChIKeyKIJGXBLYJVKUGL-UHFFFAOYSA-N
XLogP3.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-piperidin-4-yl-3,4-dipropoxybenzamide
CID 119443973
3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823113
4-pentoxy-N-piperidin-4-yl-N-propylbenzamide
CID 119825577
3-(2-methoxyethoxy)-N-piperidin-4-yl-N-propylbenzamide
CID 119822999
4-methoxy-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825588
3,4-dibutoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552125
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide
CID 119825905
3-cyano-N-piperidin-4-yl-N-propylbenzamide
CID 60806422
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
3-chloro-N-piperidin-4-yl-N-propyl-4-pyridin-4-yloxybenzamide
CID 119824694

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide?
The IUPAC name of N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide (CID 119825767) is N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide.
What is the SMILES notation for N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide?
The canonical SMILES for N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide is CCCOc1ccc(C(=O)N(CCC)C2CCNCC2)cc1OCCC.
What is the InChIKey of N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide?
The InChIKey is KIJGXBLYJVKUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-4-13-23(18-9-11-22-12-10-18)21(24)17-7-8-19(25-14-5-2)20(16-17)26-15-6-3/h7-8,16,18,22H,4-6,9-15H2,1-3H3.
What are the key properties of N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide?
N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide has a molecular weight of 362.51 g/mol, XLogP of 3.87, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide is sourced from PubChem (CID 119825767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).