1-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)piperidine-4-carboxamide

C18H26ClN3O2 — CID 170153363

IUPAC1-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)CN1CCC(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H26ClN3O2/c1-18(2,3)21-16(23)12-22-9-7-13(8-10-22)17(24)20-15-6-4-5-14(19)11-15/h4-6,11,13H,7-10,12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyISEJADRIERLJJM-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.91
Rot. Bonds4

About 1-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)piperidine-4-carboxamide

1-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)piperidine-4-carboxamide (PubChem CID 170153363) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
PubChem CID170153363
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name1-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)CN1CCC(C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H26ClN3O2/c1-18(2,3)21-16(23)12-22-9-7-13(8-10-22)17(24)20-15-6-4-5-14(19)11-15/h4-6,11,13H,7-10,12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyISEJADRIERLJJM-UHFFFAOYSA-N
XLogP2.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754183
N-[2-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-4-chlorophenyl]cyclopentanecarboxamide
CID 140543799
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
1-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 17486082
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478
N-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848226
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 16909974
N-(3-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxamide
CID 166626879
N-[3-(3-chlorophenyl)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 72940470
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
2-[1-[2-(3-chloroanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79611325
1-[2-(methylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 78817800

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)piperidine-4-carboxamide (CID 170153363) is 1-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)piperidine-4-carboxamide is CC(C)(C)NC(=O)CN1CCC(C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)piperidine-4-carboxamide?
The InChIKey is ISEJADRIERLJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-18(2,3)21-16(23)12-22-9-7-13(8-10-22)17(24)20-15-6-4-5-14(19)11-15/h4-6,11,13H,7-10,12H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of 1-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)piperidine-4-carboxamide?
1-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)piperidine-4-carboxamide has a molecular weight of 351.88 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 170153363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).