benzyl N-[5-[(2S)-4-methyl-3-oxopiperidin-2-yl]-5-oxopentyl]carbamate

C19H26N2O4 — CID 139846289

IUPACbenzyl N-[5-[(2S)-4-methyl-3-oxopiperidin-2-yl]-5-oxopentyl]carbamate
SMILESCC1CCN[C@@H](C(=O)CCCCNC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C19H26N2O4/c1-14-10-12-20-17(18(14)23)16(22)9-5-6-11-21-19(24)25-13-15-7-3-2-4-8-15/h2-4,7-8,14,17,20H,5-6,9-13H2,1H3,(H,21,24)/t14?,17-/m0/s1
InChIKeySFCVNGVJMBRWBP-JRZJBTRGSA-N
MW346.43 g/mol
LogP2.22
Rot. Bonds8

About benzyl N-[5-[(2S)-4-methyl-3-oxopiperidin-2-yl]-5-oxopentyl]carbamate

benzyl N-[5-[(2S)-4-methyl-3-oxopiperidin-2-yl]-5-oxopentyl]carbamate (PubChem CID 139846289) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is benzyl N-[5-[(2S)-4-methyl-3-oxopiperidin-2-yl]-5-oxopentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[5-[(2S)-4-methyl-3-oxopiperidin-2-yl]-5-oxopentyl]carbamate
PubChem CID139846289
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Namebenzyl N-[5-[(2S)-4-methyl-3-oxopiperidin-2-yl]-5-oxopentyl]carbamate
SMILESCC1CCN[C@@H](C(=O)CCCCNC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C19H26N2O4/c1-14-10-12-20-17(18(14)23)16(22)9-5-6-11-21-19(24)25-13-15-7-3-2-4-8-15/h2-4,7-8,14,17,20H,5-6,9-13H2,1H3,(H,21,24)/t14?,17-/m0/s1
InChIKeySFCVNGVJMBRWBP-JRZJBTRGSA-N
XLogP2.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-(6-oxoheptyl)carbamate
CID 58434506
benzyl N-[5-[(2S)-3-oxoaziridin-2-yl]pentyl]carbamate
CID 122390563
benzyl N-[6-(methylamino)hexyl]carbamate
CID 14423361
benzyl N-(8-oxopentadecyl)carbamate
CID 123440218
3-oxo-8-(phenylmethoxycarbonylamino)octanoic acid
CID 22149896
sodium 6-(phenylmethoxycarbonylamino)hexanoate
CID 102088654
tert-butyl 5-(phenylmethoxycarbonylamino)pentanoate
CID 10638439
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-(4-isocyanobutyl)carbamate
CID 66524029
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885

Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-[(2S)-4-methyl-3-oxopiperidin-2-yl]-5-oxopentyl]carbamate?
The IUPAC name of benzyl N-[5-[(2S)-4-methyl-3-oxopiperidin-2-yl]-5-oxopentyl]carbamate (CID 139846289) is benzyl N-[5-[(2S)-4-methyl-3-oxopiperidin-2-yl]-5-oxopentyl]carbamate.
What is the SMILES notation for benzyl N-[5-[(2S)-4-methyl-3-oxopiperidin-2-yl]-5-oxopentyl]carbamate?
The canonical SMILES for benzyl N-[5-[(2S)-4-methyl-3-oxopiperidin-2-yl]-5-oxopentyl]carbamate is CC1CCN[C@@H](C(=O)CCCCNC(=O)OCc2ccccc2)C1=O.
What is the InChIKey of benzyl N-[5-[(2S)-4-methyl-3-oxopiperidin-2-yl]-5-oxopentyl]carbamate?
The InChIKey is SFCVNGVJMBRWBP-JRZJBTRGSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14-10-12-20-17(18(14)23)16(22)9-5-6-11-21-19(24)25-13-15-7-3-2-4-8-15/h2-4,7-8,14,17,20H,5-6,9-13H2,1H3,(H,21,24)/t14?,17-/m0/s1.
What are the key properties of benzyl N-[5-[(2S)-4-methyl-3-oxopiperidin-2-yl]-5-oxopentyl]carbamate?
benzyl N-[5-[(2S)-4-methyl-3-oxopiperidin-2-yl]-5-oxopentyl]carbamate has a molecular weight of 346.43 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-[(2S)-4-methyl-3-oxopiperidin-2-yl]-5-oxopentyl]carbamate is sourced from PubChem (CID 139846289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).