methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid

C12H17N3O2 — CID 68632651

IUPACmethyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid
SMILESCN(C(=O)O)C1(c2ccncc2)CCNCC1
InChIInChI=1S/C12H17N3O2/c1-15(11(16)17)12(4-8-14-9-5-12)10-2-6-13-7-3-10/h2-3,6-7,14H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyQZRLIDOWSHWUIQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.27
Rot. Bonds2

About methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid

methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid (PubChem CID 68632651) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid.

Molecular Properties

Compound Namemethyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid
PubChem CID68632651
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Namemethyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid
SMILESCN(C(=O)O)C1(c2ccncc2)CCNCC1
InChIInChI=1S/C12H17N3O2/c1-15(11(16)17)12(4-8-14-9-5-12)10-2-6-13-7-3-10/h2-3,6-7,14H,4-5,8-9H2,1H3,(H,16,17)
InChIKeyQZRLIDOWSHWUIQ-UHFFFAOYSA-N
XLogP1.27
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexyl-3-(pyridin-4-ylmethyl)urea
CID 888059
1-Cyclohexyl-3-(3-pyridylmethyl)urea
CID 650313
(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one
CID 11346439
N-(tert-butyl)-N'-(3-pyridylmethyl)urea
CID 290474
1,1'-Hexamethylenebis(3-(3-pyridylmethyl)urea)
CID 3099034
4-(4-Piperidyl)pyridine
CID 1139597
N-(2,2,6,6-Tetramethyl-4-piperidinyl)-4-pyridinemethanamine
CID 1082633
N-[[6-(tert-butylcarbamoyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 118621409
1-(2-(3-(Prop-1-en-2-yl)phenyl)propan-2-yl)-3-(pyridin-3-ylmethyl)urea
CID 753418
2-ethyl-N-(pyridin-3-ylmethyl)butanamide
CID 823658
1-Cyclohexyl-3-(2-pyridin-4-ylethyl)urea
CID 712045
N-cyclohexyl-N'-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea
CID 3237480

Frequently Asked Questions

What is the IUPAC name of methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid?
The IUPAC name of methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid (CID 68632651) is methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid.
What is the SMILES notation for methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid?
The canonical SMILES for methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid is CN(C(=O)O)C1(c2ccncc2)CCNCC1.
What is the InChIKey of methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid?
The InChIKey is QZRLIDOWSHWUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15(11(16)17)12(4-8-14-9-5-12)10-2-6-13-7-3-10/h2-3,6-7,14H,4-5,8-9H2,1H3,(H,16,17).
What are the key properties of methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid?
methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid has a molecular weight of 235.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(4-pyridin-4-ylpiperidin-4-yl)carbamic acid is sourced from PubChem (CID 68632651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).