N-(3-chloro-4-nitrophenyl)-3-piperidin-4-ylpropanamide

C14H18ClN3O3 — CID 82865757

IUPACN-(3-chloro-4-nitrophenyl)-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)Nc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C14H18ClN3O3/c15-12-9-11(2-3-13(12)18(20)21)17-14(19)4-1-10-5-7-16-8-6-10/h2-3,9-10,16H,1,4-8H2,(H,17,19)
InChIKeyLCKFRSZFWRCMHP-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.97
Rot. Bonds5

About N-(3-chloro-4-nitrophenyl)-3-piperidin-4-ylpropanamide

N-(3-chloro-4-nitrophenyl)-3-piperidin-4-ylpropanamide (PubChem CID 82865757) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is N-(3-chloro-4-nitrophenyl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-nitrophenyl)-3-piperidin-4-ylpropanamide
PubChem CID82865757
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC NameN-(3-chloro-4-nitrophenyl)-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)Nc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C14H18ClN3O3/c15-12-9-11(2-3-13(12)18(20)21)17-14(19)4-1-10-5-7-16-8-6-10/h2-3,9-10,16H,1,4-8H2,(H,17,19)
InChIKeyLCKFRSZFWRCMHP-UHFFFAOYSA-N
XLogP2.97
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-nitrophenyl)-3-piperidin-4-ylpropanamide
CID 79758410
N-(3-chloro-4-nitrophenyl)-3-piperidin-2-ylpropanamide
CID 82865738
N-(4-chloro-3-cyanophenyl)-3-piperidin-4-ylpropanamide
CID 62210704
N-(3,5-dichloro-4-hydroxyphenyl)-3-piperidin-4-ylpropanamide
CID 107680294
3-[3-(3-chloro-4-nitroanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-4-nitrophenyl)propanamide
CID 3690405
N-(4-bromo-2-nitrophenyl)-3-piperidin-4-ylpropanamide
CID 62211932
3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 874154
N-(2,4-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 62210490
N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 115870611
3-piperidin-4-yl-N-quinoxalin-6-ylpropanamide
CID 62211768
N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 65468978
N-(3-chloro-4-nitrophenyl)piperidine-3-carboxamide
CID 82864995

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-nitrophenyl)-3-piperidin-4-ylpropanamide?
The IUPAC name of N-(3-chloro-4-nitrophenyl)-3-piperidin-4-ylpropanamide (CID 82865757) is N-(3-chloro-4-nitrophenyl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(3-chloro-4-nitrophenyl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-(3-chloro-4-nitrophenyl)-3-piperidin-4-ylpropanamide is O=C(CCC1CCNCC1)Nc1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-nitrophenyl)-3-piperidin-4-ylpropanamide?
The InChIKey is LCKFRSZFWRCMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c15-12-9-11(2-3-13(12)18(20)21)17-14(19)4-1-10-5-7-16-8-6-10/h2-3,9-10,16H,1,4-8H2,(H,17,19).
What are the key properties of N-(3-chloro-4-nitrophenyl)-3-piperidin-4-ylpropanamide?
N-(3-chloro-4-nitrophenyl)-3-piperidin-4-ylpropanamide has a molecular weight of 311.77 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-nitrophenyl)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 82865757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).