benzyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate

C21H30N2O4 — CID 86222796

IUPACbenzyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N(C1CC1)C1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C21H30N2O4/c1-21(2,3)27-20(25)23(17-11-12-17)18-10-7-13-22(14-18)19(24)26-15-16-8-5-4-6-9-16/h4-6,8-9,17-18H,7,10-15H2,1-3H3
InChIKeyWOFWKVSYWXJCMQ-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.19
Rot. Bonds4

About benzyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate

benzyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate (PubChem CID 86222796) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is benzyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
PubChem CID86222796
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Namebenzyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N(C1CC1)C1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C21H30N2O4/c1-21(2,3)27-20(25)23(17-11-12-17)18-10-7-13-22(14-18)19(24)26-15-16-8-5-4-6-9-16/h4-6,8-9,17-18H,7,10-15H2,1-3H3
InChIKeyWOFWKVSYWXJCMQ-UHFFFAOYSA-N
XLogP4.19
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-[cyclopropyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate
CID 121293773
benzyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 46835598
benzyl (3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 58940619
tert-butyl (3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate
CID 124562604
2-[methyl-[(3S)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]acetic acid
CID 66563953
benzyl N-[1-(2-aminopropanoyl)piperidin-3-yl]-N-cyclopropylcarbamate
CID 77144080
benzyl (3S)-3-[(3-acetyloxy-2,2-dimethylpropanoyl)-cyclohexylamino]pyrrolidine-1-carboxylate
CID 67345539
benzyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-hydroxypiperidine-1-carboxylate
CID 59455623
benzyl 3-[2-aminopropanoyl(methyl)amino]piperidine-1-carboxylate
CID 77143740
benzyl (3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 59753506
benzyl 4-(dimethylamino)azepane-1-carboxylate
CID 59598099
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of benzyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate (CID 86222796) is benzyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for benzyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N(C1CC1)C1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate?
The InChIKey is WOFWKVSYWXJCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-21(2,3)27-20(25)23(17-11-12-17)18-10-7-13-22(14-18)19(24)26-15-16-8-5-4-6-9-16/h4-6,8-9,17-18H,7,10-15H2,1-3H3.
What are the key properties of benzyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate?
benzyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate has a molecular weight of 374.48 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 86222796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).