(3R)-N-[4-chloro-3-[ethyl(propan-2-yl)carbamoyl]phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide

C22H30ClN3O3 — CID 124888658

IUPAC(3R)-N-[4-chloro-3-[ethyl(propan-2-yl)carbamoyl]phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
SMILESCCN(C(=O)c1cc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)ccc1Cl)C(C)C
InChIInChI=1S/C22H30ClN3O3/c1-4-26(14(2)3)22(29)18-12-17(9-10-19(18)23)24-20(27)16-6-5-11-25(13-16)21(28)15-7-8-15/h9-10,12,14-16H,4-8,11,13H2,1-3H3,(H,24,27)/t16-/m1/s1
InChIKeyFWGSLAPLANFZBO-MRXNPFEDSA-N
MW419.95 g/mol
LogP3.80
Rot. Bonds6

About (3R)-N-[4-chloro-3-[ethyl(propan-2-yl)carbamoyl]phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide

(3R)-N-[4-chloro-3-[ethyl(propan-2-yl)carbamoyl]phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide (PubChem CID 124888658) has the molecular formula C22H30ClN3O3 and a molecular weight of 419.95 g/mol. Its IUPAC name is (3R)-N-[4-chloro-3-[ethyl(propan-2-yl)carbamoyl]phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-chloro-3-[ethyl(propan-2-yl)carbamoyl]phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
PubChem CID124888658
Molecular FormulaC22H30ClN3O3
Molecular Weight419.95 g/mol
Exact Mass419.20
IUPAC Name(3R)-N-[4-chloro-3-[ethyl(propan-2-yl)carbamoyl]phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
SMILESCCN(C(=O)c1cc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)ccc1Cl)C(C)C
InChIInChI=1S/C22H30ClN3O3/c1-4-26(14(2)3)22(29)18-12-17(9-10-19(18)23)24-20(27)16-6-5-11-25(13-16)21(28)15-7-8-15/h9-10,12,14-16H,4-8,11,13H2,1-3H3,(H,24,27)/t16-/m1/s1
InChIKeyFWGSLAPLANFZBO-MRXNPFEDSA-N
XLogP3.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.95
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 94207901
1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide
CID 55683159
(3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 51941064
(3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94161112
1-(cyclopropanecarbonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-3-carboxamide
CID 55685452
1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 55683607
(3R)-N-(3-acetamido-4-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 94197165
(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 9068498
(3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide
CID 94161545
N-(2-aminoethyl)-1-[2-chloro-5-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119482456
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55605664
(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-methylpiperidine-1,3-dicarboxamide
CID 166027295

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-chloro-3-[ethyl(propan-2-yl)carbamoyl]phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-chloro-3-[ethyl(propan-2-yl)carbamoyl]phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide (CID 124888658) is (3R)-N-[4-chloro-3-[ethyl(propan-2-yl)carbamoyl]phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-chloro-3-[ethyl(propan-2-yl)carbamoyl]phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-chloro-3-[ethyl(propan-2-yl)carbamoyl]phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide is CCN(C(=O)c1cc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)ccc1Cl)C(C)C.
What is the InChIKey of (3R)-N-[4-chloro-3-[ethyl(propan-2-yl)carbamoyl]phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
The InChIKey is FWGSLAPLANFZBO-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H30ClN3O3/c1-4-26(14(2)3)22(29)18-12-17(9-10-19(18)23)24-20(27)16-6-5-11-25(13-16)21(28)15-7-8-15/h9-10,12,14-16H,4-8,11,13H2,1-3H3,(H,24,27)/t16-/m1/s1.
What are the key properties of (3R)-N-[4-chloro-3-[ethyl(propan-2-yl)carbamoyl]phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
(3R)-N-[4-chloro-3-[ethyl(propan-2-yl)carbamoyl]phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide has a molecular weight of 419.95 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-chloro-3-[ethyl(propan-2-yl)carbamoyl]phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 124888658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).