benzyl 4-(benzylamino)-4-carbamoylpiperidine-1-carboxylate

C21H25N3O3 — CID 130516767

IUPACbenzyl 4-(benzylamino)-4-carbamoylpiperidine-1-carboxylate
SMILESNC(=O)C1(NCc2ccccc2)CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C21H25N3O3/c22-19(25)21(23-15-17-7-3-1-4-8-17)11-13-24(14-12-21)20(26)27-16-18-9-5-2-6-10-18/h1-10,23H,11-16H2,(H2,22,25)
InChIKeyUSQRFEGPZJSNQG-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.43
Rot. Bonds6

About benzyl 4-(benzylamino)-4-carbamoylpiperidine-1-carboxylate

benzyl 4-(benzylamino)-4-carbamoylpiperidine-1-carboxylate (PubChem CID 130516767) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is benzyl 4-(benzylamino)-4-carbamoylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(benzylamino)-4-carbamoylpiperidine-1-carboxylate
PubChem CID130516767
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Namebenzyl 4-(benzylamino)-4-carbamoylpiperidine-1-carboxylate
SMILESNC(=O)C1(NCc2ccccc2)CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C21H25N3O3/c22-19(25)21(23-15-17-7-3-1-4-8-17)11-13-24(14-12-21)20(26)27-16-18-9-5-2-6-10-18/h1-10,23H,11-16H2,(H2,22,25)
InChIKeyUSQRFEGPZJSNQG-UHFFFAOYSA-N
XLogP2.43
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 70380008
benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate
CID 118012720
4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 113225254
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
4-(benzylamino)-1-methylazepane-4-carboxamide
CID 65075475
benzyl 4-benzyl-4-(benzylcarbamoyl)piperidine-1-carboxylate
CID 23600667
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045
benzyl piperidine-1-carboxylate
CID 158057698
4-(benzylamino)-1-propan-2-ylazepane-4-carboxamide
CID 65075738
benzyl 4-[(2-bromoacetyl)amino]-4-(methylcarbamoyl)piperidine-1-carboxylate
CID 11122487

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(benzylamino)-4-carbamoylpiperidine-1-carboxylate?
The IUPAC name of benzyl 4-(benzylamino)-4-carbamoylpiperidine-1-carboxylate (CID 130516767) is benzyl 4-(benzylamino)-4-carbamoylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(benzylamino)-4-carbamoylpiperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(benzylamino)-4-carbamoylpiperidine-1-carboxylate is NC(=O)C1(NCc2ccccc2)CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(benzylamino)-4-carbamoylpiperidine-1-carboxylate?
The InChIKey is USQRFEGPZJSNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c22-19(25)21(23-15-17-7-3-1-4-8-17)11-13-24(14-12-21)20(26)27-16-18-9-5-2-6-10-18/h1-10,23H,11-16H2,(H2,22,25).
What are the key properties of benzyl 4-(benzylamino)-4-carbamoylpiperidine-1-carboxylate?
benzyl 4-(benzylamino)-4-carbamoylpiperidine-1-carboxylate has a molecular weight of 367.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(benzylamino)-4-carbamoylpiperidine-1-carboxylate is sourced from PubChem (CID 130516767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).