5-[2-chloro-5-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde

C17H16ClNO3 — CID 169332180

IUPAC5-[2-chloro-5-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(C(=O)N3CCCCC3)ccc2Cl)o1
InChIInChI=1S/C17H16ClNO3/c18-15-6-4-12(17(21)19-8-2-1-3-9-19)10-14(15)16-7-5-13(11-20)22-16/h4-7,10-11H,1-3,8-9H2
InChIKeyMQRPIXOBUXAPTI-UHFFFAOYSA-N
MW317.77 g/mol
LogP4.04
Rot. Bonds3

About 5-[2-chloro-5-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde

5-[2-chloro-5-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde (PubChem CID 169332180) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 5-[2-chloro-5-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-chloro-5-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
PubChem CID169332180
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name5-[2-chloro-5-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(C(=O)N3CCCCC3)ccc2Cl)o1
InChIInChI=1S/C17H16ClNO3/c18-15-6-4-12(17(21)19-8-2-1-3-9-19)10-14(15)16-7-5-13(11-20)22-16/h4-7,10-11H,1-3,8-9H2
InChIKeyMQRPIXOBUXAPTI-UHFFFAOYSA-N
XLogP4.04
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde
CID 169334647
propan-2-yl 4-chloro-3-(5-formylfuran-2-yl)benzoate
CID 169332455
N-[(E)-3-(azepan-1-yl)-1-[5-(2,5-dichlorophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 21178678
azocan-1-yl-(3-bromo-4-chlorophenyl)methanone
CID 103841525
5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 623670
2-chloro-5-(piperidine-1-carbonyl)benzenesulfinic acid
CID 118965914
(E)-3-[5-(2-chlorophenyl)furan-2-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 779486
azocan-1-yl-(4-bromo-3-chlorophenyl)methanone
CID 80979397
azocan-1-yl-(3-chloro-4-iodophenyl)methanone
CID 103221109
methyl 4-(4-benzoylpiperazin-1-yl)-3-(5-formylfuran-2-yl)benzoate
CID 169334489
4-chloro-3-(5-formylfuran-2-yl)benzonitrile
CID 99965456
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-5-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-chloro-5-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde (CID 169332180) is 5-[2-chloro-5-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-chloro-5-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-chloro-5-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2cc(C(=O)N3CCCCC3)ccc2Cl)o1.
What is the InChIKey of 5-[2-chloro-5-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde?
The InChIKey is MQRPIXOBUXAPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c18-15-6-4-12(17(21)19-8-2-1-3-9-19)10-14(15)16-7-5-13(11-20)22-16/h4-7,10-11H,1-3,8-9H2.
What are the key properties of 5-[2-chloro-5-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde?
5-[2-chloro-5-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde has a molecular weight of 317.77 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-5-(piperidine-1-carbonyl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169332180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).