methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate

C13H17N3O3 — CID 110821211

IUPACmethyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C13H17N3O3/c1-19-13(18)15-11-4-8-16(9-5-11)12(17)10-2-6-14-7-3-10/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,15,18)
InChIKeyQCZDJDDEGJXFTP-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.04
Rot. Bonds2

About methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate

methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate (PubChem CID 110821211) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate
PubChem CID110821211
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Namemethyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C13H17N3O3/c1-19-13(18)15-11-4-8-16(9-5-11)12(17)10-2-6-14-7-3-10/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,15,18)
InChIKeyQCZDJDDEGJXFTP-UHFFFAOYSA-N
XLogP1.04
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
(2R)-2-methoxy-2-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 52512778
methyl N-[(3S)-1-benzoylpyrrolidin-3-yl]carbamate
CID 124575994
methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate
CID 110821660
3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 110821216
3-chloro-2,2-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 108566693
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide
CID 142457700
methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate
CID 110821565
2-(4-hydroxyphenoxy)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 108551204
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
methyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate
CID 108565841
2-(4-chlorophenoxy)-2-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]propanamide
CID 142457496

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate?
The IUPAC name of methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate (CID 110821211) is methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate?
The canonical SMILES for methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate is COC(=O)NC1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate?
The InChIKey is QCZDJDDEGJXFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-19-13(18)15-11-4-8-16(9-5-11)12(17)10-2-6-14-7-3-10/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,15,18).
What are the key properties of methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate?
methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate has a molecular weight of 263.30 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 110821211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).