4-(cyclobutanecarbonyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]piperazine-1-carboxamide

C21H31N3O3 — CID 119071313

IUPAC4-(cyclobutanecarbonyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]piperazine-1-carboxamide
SMILESCc1cccc(C)c1OCC(C)NC(=O)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C21H31N3O3/c1-15-6-4-7-16(2)19(15)27-14-17(3)22-21(26)24-12-10-23(11-13-24)20(25)18-8-5-9-18/h4,6-7,17-18H,5,8-14H2,1-3H3,(H,22,26)
InChIKeyJWEXCRPXMPEKAB-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.72
Rot. Bonds5

About 4-(cyclobutanecarbonyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]piperazine-1-carboxamide

4-(cyclobutanecarbonyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]piperazine-1-carboxamide (PubChem CID 119071313) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-(cyclobutanecarbonyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclobutanecarbonyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]piperazine-1-carboxamide
PubChem CID119071313
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name4-(cyclobutanecarbonyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]piperazine-1-carboxamide
SMILESCc1cccc(C)c1OCC(C)NC(=O)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C21H31N3O3/c1-15-6-4-7-16(2)19(15)27-14-17(3)22-21(26)24-12-10-23(11-13-24)20(25)18-8-5-9-18/h4,6-7,17-18H,5,8-14H2,1-3H3,(H,22,26)
InChIKeyJWEXCRPXMPEKAB-UHFFFAOYSA-N
XLogP2.72
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119745976
2-(cyclopropylmethylamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide;hydrochloride
CID 119745985
4-(cyclopropanecarbonyl)-N-[(1R)-1-(2,3-dimethylphenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 99626790
N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 60568058
N-[(2R)-1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 94503636
2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975441
N-[1-(2,6-dimethylphenoxy)propan-2-yl]piperidine-2-carboxamide
CID 119301760
1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid
CID 54136497
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide
CID 139460648
4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide
CID 119068329
4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 84528878
1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide
CID 51096030

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutanecarbonyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(cyclobutanecarbonyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]piperazine-1-carboxamide (CID 119071313) is 4-(cyclobutanecarbonyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(cyclobutanecarbonyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(cyclobutanecarbonyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]piperazine-1-carboxamide is Cc1cccc(C)c1OCC(C)NC(=O)N1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 4-(cyclobutanecarbonyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]piperazine-1-carboxamide?
The InChIKey is JWEXCRPXMPEKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-15-6-4-7-16(2)19(15)27-14-17(3)22-21(26)24-12-10-23(11-13-24)20(25)18-8-5-9-18/h4,6-7,17-18H,5,8-14H2,1-3H3,(H,22,26).
What are the key properties of 4-(cyclobutanecarbonyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]piperazine-1-carboxamide?
4-(cyclobutanecarbonyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]piperazine-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutanecarbonyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 119071313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).