(1-carbamoylpiperidin-3-yl) carbamate

C7H13N3O3 — CID 175095233

IUPAC(1-carbamoylpiperidin-3-yl) carbamate
SMILESNC(=O)OC1CCCN(C(N)=O)C1
InChIInChI=1S/C7H13N3O3/c8-6(11)10-3-1-2-5(4-10)13-7(9)12/h5H,1-4H2,(H2,8,11)(H2,9,12)
InChIKeyYNAKIRRNKQUPIG-UHFFFAOYSA-N
MW187.20 g/mol
LogP-0.38
Rot. Bonds1

About (1-carbamoylpiperidin-3-yl) carbamate

(1-carbamoylpiperidin-3-yl) carbamate (PubChem CID 175095233) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is (1-carbamoylpiperidin-3-yl) carbamate.

Molecular Properties

Compound Name(1-carbamoylpiperidin-3-yl) carbamate
PubChem CID175095233
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name(1-carbamoylpiperidin-3-yl) carbamate
SMILESNC(=O)OC1CCCN(C(N)=O)C1
InChIInChI=1S/C7H13N3O3/c8-6(11)10-3-1-2-5(4-10)13-7(9)12/h5H,1-4H2,(H2,8,11)(H2,9,12)
InChIKeyYNAKIRRNKQUPIG-UHFFFAOYSA-N
XLogP-0.38
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(piperazine-1-carbonyl)piperidin-3-yl] carbamate
CID 175588770
3-prop-2-enoxypiperidine-1-carboxamide
CID 70254738
[(3R)-1-acetylpyrrolidin-3-yl] carbamate
CID 89323069
(1-prop-1-enylpiperidin-3-yl) carbamate
CID 175488426
3-methylpiperidine-1-carboxamide
CID 16786142
3-N-cyclopentyloxypiperidine-1,3-dicarboxamide
CID 83202179
3-aminopiperidine-1-carboxamide;hydrochloride
CID 141463917
(1-acetylazetidin-3-yl) carbamate
CID 155065317
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
3-(aminomethyl)piperidine-1-carboxamide;hydrochloride
CID 119031368
3-(cyclopentylamino)piperidine-1-carboxamide
CID 83999864
[1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbonyl]piperidin-3-yl] carbamate
CID 175596359

Frequently Asked Questions

What is the IUPAC name of (1-carbamoylpiperidin-3-yl) carbamate?
The IUPAC name of (1-carbamoylpiperidin-3-yl) carbamate (CID 175095233) is (1-carbamoylpiperidin-3-yl) carbamate.
What is the SMILES notation for (1-carbamoylpiperidin-3-yl) carbamate?
The canonical SMILES for (1-carbamoylpiperidin-3-yl) carbamate is NC(=O)OC1CCCN(C(N)=O)C1.
What is the InChIKey of (1-carbamoylpiperidin-3-yl) carbamate?
The InChIKey is YNAKIRRNKQUPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c8-6(11)10-3-1-2-5(4-10)13-7(9)12/h5H,1-4H2,(H2,8,11)(H2,9,12).
What are the key properties of (1-carbamoylpiperidin-3-yl) carbamate?
(1-carbamoylpiperidin-3-yl) carbamate has a molecular weight of 187.20 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoylpiperidin-3-yl) carbamate is sourced from PubChem (CID 175095233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).