cyanomethyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate

C15H15ClN2O3 — CID 51455141

IUPACcyanomethyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate
SMILESN#CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H15ClN2O3/c16-13-5-3-11(4-6-13)14(19)18-8-1-2-12(10-18)15(20)21-9-7-17/h3-6,12H,1-2,8-10H2/t12-/m1/s1
InChIKeyYHLXFQRSGFVWQE-GFCCVEGCSA-N
MW306.75 g/mol
LogP2.26
Rot. Bonds3

About cyanomethyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate

cyanomethyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate (PubChem CID 51455141) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is cyanomethyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namecyanomethyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate
PubChem CID51455141
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Namecyanomethyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate
SMILESN#CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H15ClN2O3/c16-13-5-3-11(4-6-13)14(19)18-8-1-2-12(10-18)15(20)21-9-7-17/h3-6,12H,1-2,8-10H2/t12-/m1/s1
InChIKeyYHLXFQRSGFVWQE-GFCCVEGCSA-N
XLogP2.26
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[1-(4-chlorobenzoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 17119264
(3S)-1-(4-chlorobenzoyl)-N-ethoxypiperidine-3-carboxamide
CID 94171693
1-(4-chlorobenzoyl)-N,N-bis(2-cyanoethyl)piperidine-3-carboxamide
CID 51185593
cyanomethyl (3S)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylate
CID 32609032
(3-fluorophenyl)methyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate
CID 40960869
ethyl (3R)-1-(4-propan-2-ylbenzoyl)piperidine-3-carboxylate
CID 2385973
ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate
CID 43404461
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
ethyl (3S)-1-(4-chloro-3-fluorobenzoyl)piperidine-3-carboxylate
CID 103876654
ethyl (3R)-1-[4-(hydroxymethyl)benzoyl]piperidine-3-carboxylate
CID 115538788
ethyl 1-(4-tert-butylbenzoyl)piperidine-3-carboxylate
CID 3436669
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217

Frequently Asked Questions

What is the IUPAC name of cyanomethyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate?
The IUPAC name of cyanomethyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate (CID 51455141) is cyanomethyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for cyanomethyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate?
The canonical SMILES for cyanomethyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate is N#CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of cyanomethyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate?
The InChIKey is YHLXFQRSGFVWQE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-13-5-3-11(4-6-13)14(19)18-8-1-2-12(10-18)15(20)21-9-7-17/h3-6,12H,1-2,8-10H2/t12-/m1/s1.
What are the key properties of cyanomethyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate?
cyanomethyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate has a molecular weight of 306.75 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 51455141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).