5-chloro-2-(3-piperidin-4-yloxypropylamino)benzamide

C15H22ClN3O2 — CID 63870017

IUPAC5-chloro-2-(3-piperidin-4-yloxypropylamino)benzamide
SMILESNC(=O)c1cc(Cl)ccc1NCCCOC1CCNCC1
InChIInChI=1S/C15H22ClN3O2/c16-11-2-3-14(13(10-11)15(17)20)19-6-1-9-21-12-4-7-18-8-5-12/h2-3,10,12,18-19H,1,4-9H2,(H2,17,20)
InChIKeyAJQIKDPCIGTVSI-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.01
Rot. Bonds7

About 5-chloro-2-(3-piperidin-4-yloxypropylamino)benzamide

5-chloro-2-(3-piperidin-4-yloxypropylamino)benzamide (PubChem CID 63870017) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 5-chloro-2-(3-piperidin-4-yloxypropylamino)benzamide.

Molecular Properties

Compound Name5-chloro-2-(3-piperidin-4-yloxypropylamino)benzamide
PubChem CID63870017
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name5-chloro-2-(3-piperidin-4-yloxypropylamino)benzamide
SMILESNC(=O)c1cc(Cl)ccc1NCCCOC1CCNCC1
InChIInChI=1S/C15H22ClN3O2/c16-11-2-3-14(13(10-11)15(17)20)19-6-1-9-21-12-4-7-18-8-5-12/h2-3,10,12,18-19H,1,4-9H2,(H2,17,20)
InChIKeyAJQIKDPCIGTVSI-UHFFFAOYSA-N
XLogP2.01
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(3-piperidin-4-yloxypropylamino)benzonitrile
CID 63869174
5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide
CID 80564049
2-[2-(4-aminocyclohexyl)oxyethylamino]-4-chlorobenzamide
CID 63871527
2-chloro-3-fluoro-N-(3-piperidin-4-yloxypropyl)benzamide
CID 81454510
4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide
CID 63623817
3-(2-carbamoyl-4-chloroanilino)propanoic acid
CID 62492779
5-chloro-2-[(2-oxo-2-piperazin-1-ylethyl)amino]benzamide
CID 62495215
1-(2,4-dichlorophenyl)-3-piperidin-4-yloxypropan-1-one
CID 114281145
4-[3-(oxan-4-yloxy)propylamino]pyridine-3-carboxamide
CID 133454965
4-fluoro-2-nitro-N-(3-piperidin-4-yloxypropyl)aniline
CID 63870853
5-chloro-2-[3-(2-hydroxyethoxy)propylamino]benzoic acid
CID 114171141
5-chloro-2-(3-cyclopentyloxypropylamino)benzonitrile
CID 133286015

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-piperidin-4-yloxypropylamino)benzamide?
The IUPAC name of 5-chloro-2-(3-piperidin-4-yloxypropylamino)benzamide (CID 63870017) is 5-chloro-2-(3-piperidin-4-yloxypropylamino)benzamide.
What is the SMILES notation for 5-chloro-2-(3-piperidin-4-yloxypropylamino)benzamide?
The canonical SMILES for 5-chloro-2-(3-piperidin-4-yloxypropylamino)benzamide is NC(=O)c1cc(Cl)ccc1NCCCOC1CCNCC1.
What is the InChIKey of 5-chloro-2-(3-piperidin-4-yloxypropylamino)benzamide?
The InChIKey is AJQIKDPCIGTVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c16-11-2-3-14(13(10-11)15(17)20)19-6-1-9-21-12-4-7-18-8-5-12/h2-3,10,12,18-19H,1,4-9H2,(H2,17,20).
What are the key properties of 5-chloro-2-(3-piperidin-4-yloxypropylamino)benzamide?
5-chloro-2-(3-piperidin-4-yloxypropylamino)benzamide has a molecular weight of 311.81 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-piperidin-4-yloxypropylamino)benzamide is sourced from PubChem (CID 63870017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).