tert-butyl 4-[(3-carbamoylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate

C19H27N3O4 — CID 71911196

IUPACtert-butyl 4-[(3-carbamoylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(C(=O)Nc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C19H27N3O4/c1-18(2,3)26-17(25)22-10-8-19(4,9-11-22)16(24)21-14-7-5-6-13(12-14)15(20)23/h5-7,12H,8-11H2,1-4H3,(H2,20,23)(H,21,24)
InChIKeyJZYAPOJCXSYNMY-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.76
Rot. Bonds3

About tert-butyl 4-[(3-carbamoylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate

tert-butyl 4-[(3-carbamoylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate (PubChem CID 71911196) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is tert-butyl 4-[(3-carbamoylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3-carbamoylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate
PubChem CID71911196
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Nametert-butyl 4-[(3-carbamoylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(C(=O)Nc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C19H27N3O4/c1-18(2,3)26-17(25)22-10-8-19(4,9-11-22)16(24)21-14-7-5-6-13(12-14)15(20)23/h5-7,12H,8-11H2,1-4H3,(H2,20,23)(H,21,24)
InChIKeyJZYAPOJCXSYNMY-UHFFFAOYSA-N
XLogP2.76
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(3-tert-butylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate
CID 86635224
tert-butyl (3R)-3-[[3-(cyclopropylcarbamoyl)phenyl]carbamoyl]-3-methylpiperidine-1-carboxylate
CID 97090535
methyl 2-[[3-[[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]amino]phenyl]methyl]-1-oxoisoquinoline-7-carboxylate
CID 67282976
tert-butyl 4-(3-acetamidobenzoyl)-1,4-diazepane-1-carboxylate
CID 51123070
tert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate
CID 121418713
tert-butyl 4-[3-(methylamino)benzoyl]piperazine-1-carboxylate
CID 166845071
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957
tert-butyl 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate
CID 71909700
tert-butyl 4-[(4-amino-3,5-dichlorophenyl)carbamoyl]-4-(methoxymethyl)piperidine-1-carboxylate
CID 100623657
3-[[(3R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]amino]benzoic acid
CID 165430419
3-[[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]amino]benzoic acid
CID 165430418
3-[(1-phenylcyclopropanecarbonyl)amino]benzamide
CID 51152911

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-carbamoylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3-carbamoylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate (CID 71911196) is tert-butyl 4-[(3-carbamoylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3-carbamoylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3-carbamoylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C)(C(=O)Nc2cccc(C(N)=O)c2)CC1.
What is the InChIKey of tert-butyl 4-[(3-carbamoylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate?
The InChIKey is JZYAPOJCXSYNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-18(2,3)26-17(25)22-10-8-19(4,9-11-22)16(24)21-14-7-5-6-13(12-14)15(20)23/h5-7,12H,8-11H2,1-4H3,(H2,20,23)(H,21,24).
What are the key properties of tert-butyl 4-[(3-carbamoylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate?
tert-butyl 4-[(3-carbamoylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-carbamoylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 71911196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).