N-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide

C17H24ClN3O2 — CID 110810778

IUPACN-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-17(2,3)19-16(23)21-10-8-20(9-11-21)15(22)12-13-4-6-14(18)7-5-13/h4-7H,8-12H2,1-3H3,(H,19,23)
InChIKeyRTCVYINRYFHKQF-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.53
Rot. Bonds2

About N-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide

N-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide (PubChem CID 110810778) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide
PubChem CID110810778
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-17(2,3)19-16(23)21-10-8-20(9-11-21)15(22)12-13-4-6-14(18)7-5-13/h4-7H,8-12H2,1-3H3,(H,19,23)
InChIKeyRTCVYINRYFHKQF-UHFFFAOYSA-N
XLogP2.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-chlorophenyl)acetyl]-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110811576
4-[2-(4-chlorophenyl)acetyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811573
N-[2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 86996669
N-tert-butyl-4-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813796
N-tert-butyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813828
N-tert-butyl-4-(4-chlorophenyl)sulfonylpiperazine-1-carboxamide
CID 110811078
tert-butyl N-[2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 108567412
N-(4-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxamide
CID 38274940
N-tert-butyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811014
N-tert-butyl-4-[2-(5-chlorothiophen-2-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813839
1-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazin-2-one
CID 110873659
4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110811575

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide (CID 110810778) is N-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide is CC(C)(C)NC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide?
The InChIKey is RTCVYINRYFHKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-17(2,3)19-16(23)21-10-8-20(9-11-21)15(22)12-13-4-6-14(18)7-5-13/h4-7H,8-12H2,1-3H3,(H,19,23).
What are the key properties of N-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide?
N-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide is sourced from PubChem (CID 110810778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).