[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid

C20H24N4O3 — CID 67130506

IUPAC[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid
SMILESCC(=O)Nc1ccc(-c2cccc(N3CCC(N(C)C(=O)O)CC3)n2)cc1
InChIInChI=1S/C20H24N4O3/c1-14(25)21-16-8-6-15(7-9-16)18-4-3-5-19(22-18)24-12-10-17(11-13-24)23(2)20(26)27/h3-9,17H,10-13H2,1-2H3,(H,21,25)(H,26,27)
InChIKeyCTFJNKZYISHPSP-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.29
Rot. Bonds4

About [1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid

[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid (PubChem CID 67130506) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is [1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid
PubChem CID67130506
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid
SMILESCC(=O)Nc1ccc(-c2cccc(N3CCC(N(C)C(=O)O)CC3)n2)cc1
InChIInChI=1S/C20H24N4O3/c1-14(25)21-16-8-6-15(7-9-16)18-4-3-5-19(22-18)24-12-10-17(11-13-24)23(2)20(26)27/h3-9,17H,10-13H2,1-2H3,(H,21,25)(H,26,27)
InChIKeyCTFJNKZYISHPSP-UHFFFAOYSA-N
XLogP3.29
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl-[1-[6-(3-methylphenyl)-2-pyridinyl]piperidin-4-yl]carbamic acid
CID 67130546
[1-[6-(3-carbamoylphenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid
CID 67130428
1,3-thiazol-4-ylmethyl N-[[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
CID 141259699
(2-amino-2-oxoethyl)-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 67137713
methyl N-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamate
CID 174487288
(E)-3-[3-[6-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]phenyl]prop-2-enoic acid
CID 24812225
3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]-1-methylurea
CID 20782354
1,1,3-trimethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
CID 166603331
3-[4-(2,4-difluorophenyl)phenyl]-1-methyl-1-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 20782328
1-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907660
1-(1-benzylsulfonylpiperidin-4-yl)-1-methyl-3-(4-phenylphenyl)urea
CID 20782228
6-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]pyridine-2-carboxamide
CID 173075471

Frequently Asked Questions

What is the IUPAC name of [1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid?
The IUPAC name of [1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid (CID 67130506) is [1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid.
What is the SMILES notation for [1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid?
The canonical SMILES for [1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid is CC(=O)Nc1ccc(-c2cccc(N3CCC(N(C)C(=O)O)CC3)n2)cc1.
What is the InChIKey of [1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid?
The InChIKey is CTFJNKZYISHPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14(25)21-16-8-6-15(7-9-16)18-4-3-5-19(22-18)24-12-10-17(11-13-24)23(2)20(26)27/h3-9,17H,10-13H2,1-2H3,(H,21,25)(H,26,27).
What are the key properties of [1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid?
[1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid has a molecular weight of 368.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(4-acetamidophenyl)-2-pyridinyl]piperidin-4-yl]-methylcarbamic acid is sourced from PubChem (CID 67130506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).