tert-butyl 4-[[(3-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate

C19H27N3O4 — CID 24789611

IUPACtert-butyl 4-[[(3-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate
SMILESCc1cccc(C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C19H27N3O4/c1-13-6-5-7-15(12-13)17(24)21-20-16(23)14-8-10-22(11-9-14)18(25)26-19(2,3)4/h5-7,12,14H,8-11H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyNJTZLLNXNRSURD-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.40
Rot. Bonds2

About tert-butyl 4-[[(3-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[(3-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate (PubChem CID 24789611) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is tert-butyl 4-[[(3-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(3-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate
PubChem CID24789611
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Nametert-butyl 4-[[(3-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate
SMILESCc1cccc(C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C19H27N3O4/c1-13-6-5-7-15(12-13)17(24)21-20-16(23)14-8-10-22(11-9-14)18(25)26-19(2,3)4/h5-7,12,14H,8-11H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyNJTZLLNXNRSURD-UHFFFAOYSA-N
XLogP2.40
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[(benzoylamino)methyl]tetrahydro-1(2H)-pyridinecarboxylate
CID 2810470
1-(3-Methylbenzoyl)piperidine-4-carboxamide
CID 772233
Tert-butyl 4-(2-benzamidoethyl)piperazine-1-carboxylate hydrochloride
CID 2822266
Tert-butyl 4-{[(4-methylphenyl)formohydrazido]carbonyl}piperidine-1-carboxylate
CID 24789602
tert-butyl 4-{[(4-fluorobenzoyl)amino]methyl}tetrahydro-1(2H)-pyridinecarboxylate
CID 2810466
N'-[(1-benzyl-4-piperidinyl)carbonyl]-4-methylbenzenecarbohydrazide
CID 3809276
tert-butyl N-benzyl-N-[[4-(propylaminocarbamoyl)phenyl]methyl]carbamate
CID 155557418
1-(3,5-Dimethylbenzoyl)-4-piperidinecarboxamide
CID 976400
Tert-butyl 4-[N'-(2,4-dichlorobenzoyl)hydrazinecarbonyl]piperidine-1-carboxylate
CID 24789589
tert-butyl N-[(2-amino-2-oxoethyl)-[(E)-4-benzamido-4-oxobut-2-enoyl]amino]carbamate
CID 45483375
tert-butyl N-[[1-[(3-carbamoylphenyl)methyl]piperidin-2-yl]methyl]carbamate
CID 49435157
3-methyl-N-(4-methyl-1-piperazinyl)benzamide
CID 872229

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(3-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(3-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate (CID 24789611) is tert-butyl 4-[[(3-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(3-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(3-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate is Cc1cccc(C(=O)NNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-[[(3-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate?
The InChIKey is NJTZLLNXNRSURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-13-6-5-7-15(12-13)17(24)21-20-16(23)14-8-10-22(11-9-14)18(25)26-19(2,3)4/h5-7,12,14H,8-11H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of tert-butyl 4-[[(3-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[(3-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(3-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 24789611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).