N-(5-chloro-2-cyanophenyl)-3-piperidin-4-yloxypropanamide

C15H18ClN3O2 — CID 63876656

IUPACN-(5-chloro-2-cyanophenyl)-3-piperidin-4-yloxypropanamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CCOC1CCNCC1
InChIInChI=1S/C15H18ClN3O2/c16-12-2-1-11(10-17)14(9-12)19-15(20)5-8-21-13-3-6-18-7-4-13/h1-2,9,13,18H,3-8H2,(H,19,20)
InChIKeyDQIPKLBQVMSUJL-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.31
Rot. Bonds5

About N-(5-chloro-2-cyanophenyl)-3-piperidin-4-yloxypropanamide

N-(5-chloro-2-cyanophenyl)-3-piperidin-4-yloxypropanamide (PubChem CID 63876656) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-3-piperidin-4-yloxypropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-3-piperidin-4-yloxypropanamide
PubChem CID63876656
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-(5-chloro-2-cyanophenyl)-3-piperidin-4-yloxypropanamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CCOC1CCNCC1
InChIInChI=1S/C15H18ClN3O2/c16-12-2-1-11(10-17)14(9-12)19-15(20)5-8-21-13-3-6-18-7-4-13/h1-2,9,13,18H,3-8H2,(H,19,20)
InChIKeyDQIPKLBQVMSUJL-UHFFFAOYSA-N
XLogP2.31
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(3-piperidin-4-yloxypropylamino)benzonitrile
CID 63869174
N-(4-cyanophenyl)-3-piperidin-4-yloxypropanamide
CID 63875090
N-(2-chlorophenyl)-3-piperidin-4-yloxypropanamide
CID 63877513
3-piperidin-4-yloxy-N-(2,4,6-trichlorophenyl)propanamide
CID 63875787
N-(5-chloro-2-cyanophenyl)-3-piperidin-2-ylpropanamide
CID 62211574
2-(azetidin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide
CID 64616779
N-(2-amino-5-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16792672
N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide
CID 54917775
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2352785
N-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16794047
N-(5-chloro-2-cyanophenyl)hexanamide
CID 60628682
N-(2,6-dichloro-4-fluorophenyl)-3-piperidin-4-yloxypropanamide
CID 83077626

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-3-piperidin-4-yloxypropanamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-3-piperidin-4-yloxypropanamide (CID 63876656) is N-(5-chloro-2-cyanophenyl)-3-piperidin-4-yloxypropanamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-3-piperidin-4-yloxypropanamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-3-piperidin-4-yloxypropanamide is N#Cc1ccc(Cl)cc1NC(=O)CCOC1CCNCC1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-3-piperidin-4-yloxypropanamide?
The InChIKey is DQIPKLBQVMSUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-12-2-1-11(10-17)14(9-12)19-15(20)5-8-21-13-3-6-18-7-4-13/h1-2,9,13,18H,3-8H2,(H,19,20).
What are the key properties of N-(5-chloro-2-cyanophenyl)-3-piperidin-4-yloxypropanamide?
N-(5-chloro-2-cyanophenyl)-3-piperidin-4-yloxypropanamide has a molecular weight of 307.78 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-3-piperidin-4-yloxypropanamide is sourced from PubChem (CID 63876656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).