benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate

C16H22N2O2 — CID 66569398

IUPACbenzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate
SMILESO=C(OCc1ccccc1)N(C1CC1)[C@H]1CCCNC1
InChIInChI=1S/C16H22N2O2/c19-16(20-12-13-5-2-1-3-6-13)18(14-8-9-14)15-7-4-10-17-11-15/h1-3,5-6,14-15,17H,4,7-12H2/t15-/m0/s1
InChIKeyUMTXEPOPQRZXII-HNNXBMFYSA-N
MW274.36 g/mol
LogP2.54
Rot. Bonds4

About benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate

benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate (PubChem CID 66569398) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate
PubChem CID66569398
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Namebenzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate
SMILESO=C(OCc1ccccc1)N(C1CC1)[C@H]1CCCNC1
InChIInChI=1S/C16H22N2O2/c19-16(20-12-13-5-2-1-3-6-13)18(14-8-9-14)15-7-4-10-17-11-15/h1-3,5-6,14-15,17H,4,7-12H2/t15-/m0/s1
InChIKeyUMTXEPOPQRZXII-HNNXBMFYSA-N
XLogP2.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate
CID 66569385
benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate
CID 66569373
benzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate
CID 96555658
benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96555678
(2R)-3-oxo-3-phenylmethoxy-2-[phenylmethoxycarbonyl(pyrrolidin-3-yl)amino]propanoic acid
CID 68577473
benzyl N-[(3R,5R)-5-hydroxypiperidin-3-yl]-N-methylcarbamate
CID 129231388
benzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate
CID 106484429
benzyl N-benzyl-N-(3-fluoropiperidin-4-yl)carbamate
CID 68612218
tert-butyl N-benzyl-N-piperidin-3-ylcarbamate
CID 54456558
(3R)-N-benzyl-N-cyclopropylpiperidin-3-amine
CID 66569431
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
benzyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate
CID 171068971

Frequently Asked Questions

What is the IUPAC name of benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate?
The IUPAC name of benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate (CID 66569398) is benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate.
What is the SMILES notation for benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate?
The canonical SMILES for benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate is O=C(OCc1ccccc1)N(C1CC1)[C@H]1CCCNC1.
What is the InChIKey of benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate?
The InChIKey is UMTXEPOPQRZXII-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(20-12-13-5-2-1-3-6-13)18(14-8-9-14)15-7-4-10-17-11-15/h1-3,5-6,14-15,17H,4,7-12H2/t15-/m0/s1.
What are the key properties of benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate?
benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate has a molecular weight of 274.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate is sourced from PubChem (CID 66569398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).