12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid

C20H37N3O4 — CID 148925401

IUPAC12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid
SMILESCC(=O)N1CCC(NC(=O)NCCCCCCCCCCCC(=O)O)CC1
InChIInChI=1S/C20H37N3O4/c1-17(24)23-15-12-18(13-16-23)22-20(27)21-14-10-8-6-4-2-3-5-7-9-11-19(25)26/h18H,2-16H2,1H3,(H,25,26)(H2,21,22,27)
InChIKeyPKWUKRZRSPPPDI-UHFFFAOYSA-N
MW383.53 g/mol
LogP3.28
Rot. Bonds13

About 12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid

12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid (PubChem CID 148925401) has the molecular formula C20H37N3O4 and a molecular weight of 383.53 g/mol. Its IUPAC name is 12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid.

Molecular Properties

Compound Name12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid
PubChem CID148925401
Molecular FormulaC20H37N3O4
Molecular Weight383.53 g/mol
Exact Mass383.28
IUPAC Name12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid
SMILESCC(=O)N1CCC(NC(=O)NCCCCCCCCCCCC(=O)O)CC1
InChIInChI=1S/C20H37N3O4/c1-17(24)23-15-12-18(13-16-23)22-20(27)21-14-10-8-6-4-2-3-5-7-9-11-19(25)26/h18H,2-16H2,1H3,(H,25,26)(H2,21,22,27)
InChIKeyPKWUKRZRSPPPDI-UHFFFAOYSA-N
XLogP3.28
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-(8-hydroxyoctyl)urea
CID 25072675
6-[(1-methylpyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 54950039
6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid
CID 54868296
4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 61198226
6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259
5-[(1-acetylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 54868295
5-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732933
7-[(1-methylpiperidin-3-yl)carbamoylamino]heptanoic acid
CID 61223092
5-[(3,4-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64744106
1-(1-acetylpiperidin-4-yl)-3-[3-(4-hydroxyphenyl)propyl]urea
CID 69241812
6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 106258009
5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 64667845

Frequently Asked Questions

What is the IUPAC name of 12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid?
The IUPAC name of 12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid (CID 148925401) is 12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid.
What is the SMILES notation for 12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid?
The canonical SMILES for 12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid is CC(=O)N1CCC(NC(=O)NCCCCCCCCCCCC(=O)O)CC1.
What is the InChIKey of 12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid?
The InChIKey is PKWUKRZRSPPPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O4/c1-17(24)23-15-12-18(13-16-23)22-20(27)21-14-10-8-6-4-2-3-5-7-9-11-19(25)26/h18H,2-16H2,1H3,(H,25,26)(H2,21,22,27).
What are the key properties of 12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid?
12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid has a molecular weight of 383.53 g/mol, XLogP of 3.28, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid is sourced from PubChem (CID 148925401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).