5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride

C15H22Cl2N2O2 — CID 119424718

IUPAC5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride
SMILESCCCOc1ccc(Cl)cc1C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-2-8-20-14-6-5-11(16)9-13(14)15(19)18-12-4-3-7-17-10-12;/h5-6,9,12,17H,2-4,7-8,10H2,1H3,(H,18,19);1H
InChIKeyFYLGKGDKYYQFDH-UHFFFAOYSA-N
MW333.26 g/mol
LogP3.03
Rot. Bonds5

About 5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride

5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride (PubChem CID 119424718) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride
PubChem CID119424718
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride
SMILESCCCOc1ccc(Cl)cc1C(=O)NC1CCCNC1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-2-8-20-14-6-5-11(16)9-13(14)15(19)18-12-4-3-7-17-10-12;/h5-6,9,12,17H,2-4,7-8,10H2,1H3,(H,18,19);1H
InChIKeyFYLGKGDKYYQFDH-UHFFFAOYSA-N
XLogP3.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-cyclopentyloxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428659
5-chloro-2-ethylsulfanyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427327
4-chloro-2-methoxy-N-piperidin-3-ylbenzamide
CID 63321384
cis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676512
(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone
CID 82550103
5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550406
5-chloro-2-propan-2-yloxy-N-pyrrolidin-3-ylbenzamide
CID 119449786
5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide
CID 119445271
3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride
CID 119428031
3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452708
(5-chloro-2-propoxyphenyl)-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119414568
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride?
The IUPAC name of 5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride (CID 119424718) is 5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride?
The canonical SMILES for 5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride is CCCOc1ccc(Cl)cc1C(=O)NC1CCCNC1.Cl.
What is the InChIKey of 5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride?
The InChIKey is FYLGKGDKYYQFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2.ClH/c1-2-8-20-14-6-5-11(16)9-13(14)15(19)18-12-4-3-7-17-10-12;/h5-6,9,12,17H,2-4,7-8,10H2,1H3,(H,18,19);1H.
What are the key properties of 5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride?
5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride has a molecular weight of 333.26 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride is sourced from PubChem (CID 119424718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).