benzyl 4-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidine-1-carboxylate

C19H29N3O3 — CID 60592903

IUPACbenzyl 4-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidine-1-carboxylate
SMILESCCN(C)CCNC(=O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H29N3O3/c1-3-21(2)14-11-20-18(23)17-9-12-22(13-10-17)19(24)25-15-16-7-5-4-6-8-16/h4-8,17H,3,9-15H2,1-2H3,(H,20,23)
InChIKeyDRYHBUFEKPICEY-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.10
Rot. Bonds7

About benzyl 4-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidine-1-carboxylate

benzyl 4-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidine-1-carboxylate (PubChem CID 60592903) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is benzyl 4-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidine-1-carboxylate
PubChem CID60592903
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Namebenzyl 4-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidine-1-carboxylate
SMILESCCN(C)CCNC(=O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H29N3O3/c1-3-21(2)14-11-20-18(23)17-9-12-22(13-10-17)19(24)25-15-16-7-5-4-6-8-16/h4-8,17H,3,9-15H2,1-2H3,(H,20,23)
InChIKeyDRYHBUFEKPICEY-UHFFFAOYSA-N
XLogP2.10
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate
CID 3416715
benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate
CID 3776046
benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate
CID 171405341
1-[(2R)-2-aminopropanoyl]-N-[2-[benzyl(methyl)amino]ethyl]piperidine-4-carboxamide
CID 119894122
benzyl 4-[[(1S)-1-cyclopropylethyl]carbamoyl]piperidine-1-carboxylate
CID 94177956
benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365789
benzyl 4-[ethyl(methylsulfanyl)amino]piperidine-1-carboxylate
CID 143775945
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate
CID 23369982
benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365770
2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid
CID 66564244
benzyl 4-(dimethylamino)azepane-1-carboxylate
CID 59598099

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidine-1-carboxylate (CID 60592903) is benzyl 4-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidine-1-carboxylate is CCN(C)CCNC(=O)C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is DRYHBUFEKPICEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-21(2)14-11-20-18(23)17-9-12-22(13-10-17)19(24)25-15-16-7-5-4-6-8-16/h4-8,17H,3,9-15H2,1-2H3,(H,20,23).
What are the key properties of benzyl 4-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidine-1-carboxylate?
benzyl 4-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 60592903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).