benzyl 4-(methylcarbamoylamino)-4-phenylpiperidine-1-carboxylate

C21H25N3O3 — CID 18414365

IUPACbenzyl 4-(methylcarbamoylamino)-4-phenylpiperidine-1-carboxylate
SMILESCNC(=O)NC1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C21H25N3O3/c1-22-19(25)23-21(18-10-6-3-7-11-18)12-14-24(15-13-21)20(26)27-16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3,(H2,22,23,25)
InChIKeyMQOJQKYAJUKQRZ-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.24
Rot. Bonds4

About benzyl 4-(methylcarbamoylamino)-4-phenylpiperidine-1-carboxylate

benzyl 4-(methylcarbamoylamino)-4-phenylpiperidine-1-carboxylate (PubChem CID 18414365) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is benzyl 4-(methylcarbamoylamino)-4-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(methylcarbamoylamino)-4-phenylpiperidine-1-carboxylate
PubChem CID18414365
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Namebenzyl 4-(methylcarbamoylamino)-4-phenylpiperidine-1-carboxylate
SMILESCNC(=O)NC1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C21H25N3O3/c1-22-19(25)23-21(18-10-6-3-7-11-18)12-14-24(15-13-21)20(26)27-16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3,(H2,22,23,25)
InChIKeyMQOJQKYAJUKQRZ-UHFFFAOYSA-N
XLogP3.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 70380008
benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate
CID 118012720
benzyl 4-[(2-bromoacetyl)amino]-4-(methylcarbamoyl)piperidine-1-carboxylate
CID 11122487
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(benzylamino)-4-carbamoylpiperidine-1-carboxylate
CID 130516767
benzyl 4-hydroxy-4-phenylazepane-1-carboxylate
CID 138755008
benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 14127359
2-(4-methyl-1-phenylmethoxycarbonylpiperidin-4-yl)acetic acid
CID 167735638
benzyl 4-[[5-(hydroxycarbamoyl)pyrimidin-2-yl]amino]-4-phenylpiperidine-1-carboxylate
CID 118005857
ethyl 4-[(1-phenylcyclobutyl)carbamoylamino]piperidine-1-carboxylate
CID 113216947

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(methylcarbamoylamino)-4-phenylpiperidine-1-carboxylate?
The IUPAC name of benzyl 4-(methylcarbamoylamino)-4-phenylpiperidine-1-carboxylate (CID 18414365) is benzyl 4-(methylcarbamoylamino)-4-phenylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(methylcarbamoylamino)-4-phenylpiperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(methylcarbamoylamino)-4-phenylpiperidine-1-carboxylate is CNC(=O)NC1(c2ccccc2)CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(methylcarbamoylamino)-4-phenylpiperidine-1-carboxylate?
The InChIKey is MQOJQKYAJUKQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-22-19(25)23-21(18-10-6-3-7-11-18)12-14-24(15-13-21)20(26)27-16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3,(H2,22,23,25).
What are the key properties of benzyl 4-(methylcarbamoylamino)-4-phenylpiperidine-1-carboxylate?
benzyl 4-(methylcarbamoylamino)-4-phenylpiperidine-1-carboxylate has a molecular weight of 367.45 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(methylcarbamoylamino)-4-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 18414365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).