tert-butyl 4-[1-(4-chlorophenyl)propylcarbamoyl]piperidine-1-carboxylate

C20H29ClN2O3 — CID 24613419

IUPACtert-butyl 4-[1-(4-chlorophenyl)propylcarbamoyl]piperidine-1-carboxylate
SMILESCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H29ClN2O3/c1-5-17(14-6-8-16(21)9-7-14)22-18(24)15-10-12-23(13-11-15)19(25)26-20(2,3)4/h6-9,15,17H,5,10-13H2,1-4H3,(H,22,24)
InChIKeyQPYSFUYNBYPFSS-UHFFFAOYSA-N
MW380.92 g/mol
LogP4.55
Rot. Bonds4

About tert-butyl 4-[1-(4-chlorophenyl)propylcarbamoyl]piperidine-1-carboxylate

tert-butyl 4-[1-(4-chlorophenyl)propylcarbamoyl]piperidine-1-carboxylate (PubChem CID 24613419) has the molecular formula C20H29ClN2O3 and a molecular weight of 380.92 g/mol. Its IUPAC name is tert-butyl 4-[1-(4-chlorophenyl)propylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(4-chlorophenyl)propylcarbamoyl]piperidine-1-carboxylate
PubChem CID24613419
Molecular FormulaC20H29ClN2O3
Molecular Weight380.92 g/mol
Exact Mass380.19
IUPAC Nametert-butyl 4-[1-(4-chlorophenyl)propylcarbamoyl]piperidine-1-carboxylate
SMILESCCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H29ClN2O3/c1-5-17(14-6-8-16(21)9-7-14)22-18(24)15-10-12-23(13-11-15)19(25)26-20(2,3)4/h6-9,15,17H,5,10-13H2,1-4H3,(H,22,24)
InChIKeyQPYSFUYNBYPFSS-UHFFFAOYSA-N
XLogP4.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]piperidine-1-carboxylate
CID 9155664
tert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate
CID 43017509
1-(2,2-dimethylpropanoyl)-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 134028904
1-acetyl-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 6469814
tert-butyl 4-[(4-chlorophenyl)-(2-methoxy-2-oxoethoxy)methyl]piperidine-1-carboxylate
CID 71072832
tert-butyl 4-(4-chlorobenzoyl)piperidine-1-carboxylate
CID 10519988
4-(carbamoylamino)-N-[(1S)-1-(4-chlorophenyl)propyl]cyclohexane-1-carboxamide
CID 95274422
tert-butyl 4-[2-(cyclohexanecarbonylamino)-2-phenylethyl]piperidine-1-carboxylate
CID 137373058
tert-butyl 4-[[(1R)-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 7323759
tert-butyl 4-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate
CID 24625912
tert-butyl 4-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 9150003
N-[1-(4-chlorophenyl)propyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24613397

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(4-chlorophenyl)propylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(4-chlorophenyl)propylcarbamoyl]piperidine-1-carboxylate (CID 24613419) is tert-butyl 4-[1-(4-chlorophenyl)propylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(4-chlorophenyl)propylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(4-chlorophenyl)propylcarbamoyl]piperidine-1-carboxylate is CCC(NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Cl)cc1.
What is the InChIKey of tert-butyl 4-[1-(4-chlorophenyl)propylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is QPYSFUYNBYPFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O3/c1-5-17(14-6-8-16(21)9-7-14)22-18(24)15-10-12-23(13-11-15)19(25)26-20(2,3)4/h6-9,15,17H,5,10-13H2,1-4H3,(H,22,24).
What are the key properties of tert-butyl 4-[1-(4-chlorophenyl)propylcarbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[1-(4-chlorophenyl)propylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 380.92 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(4-chlorophenyl)propylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 24613419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).