5-[(1-butylpiperidin-4-yl)amino]-3,3-dimethyl-5-oxopentanoic acid

C16H30N2O3 — CID 62935081

IUPAC5-[(1-butylpiperidin-4-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCCCCN1CCC(NC(=O)CC(C)(C)CC(=O)O)CC1
InChIInChI=1S/C16H30N2O3/c1-4-5-8-18-9-6-13(7-10-18)17-14(19)11-16(2,3)12-15(20)21/h13H,4-12H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyYRFAGSDRYGJRJC-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.26
Rot. Bonds8

About 5-[(1-butylpiperidin-4-yl)amino]-3,3-dimethyl-5-oxopentanoic acid

5-[(1-butylpiperidin-4-yl)amino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 62935081) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 5-[(1-butylpiperidin-4-yl)amino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1-butylpiperidin-4-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID62935081
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name5-[(1-butylpiperidin-4-yl)amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCCCCN1CCC(NC(=O)CC(C)(C)CC(=O)O)CC1
InChIInChI=1S/C16H30N2O3/c1-4-5-8-18-9-6-13(7-10-18)17-14(19)11-16(2,3)12-15(20)21/h13H,4-12H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyYRFAGSDRYGJRJC-UHFFFAOYSA-N
XLogP2.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934911
N-(1-butylpiperidin-4-yl)acetamide
CID 21136025
5-[(4-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933875
N-(1-butylpiperidin-4-yl)-4-hydroxypentanamide
CID 79205186
N,N'-dicyclopropyl-3,3-dimethylpentanediamide
CID 59002749
N-(1-butylpiperidin-4-yl)-2-(prop-2-ynylamino)acetamide
CID 79287721
N-(1-butylpiperidin-4-yl)-2,2-difluoroacetamide
CID 103515070
3,3-dimethyl-5-[2-(4-methylpiperidin-1-yl)ethylamino]-5-oxopentanoic acid
CID 62934088
3,3-dimethyl-5-oxo-5-(3-piperidin-1-ylpropylamino)pentanoic acid
CID 62933528
N-(1-butylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide
CID 103733678
N-(1-butylpiperidin-4-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626700
2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate
CID 79345508

Frequently Asked Questions

What is the IUPAC name of 5-[(1-butylpiperidin-4-yl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[(1-butylpiperidin-4-yl)amino]-3,3-dimethyl-5-oxopentanoic acid (CID 62935081) is 5-[(1-butylpiperidin-4-yl)amino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1-butylpiperidin-4-yl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(1-butylpiperidin-4-yl)amino]-3,3-dimethyl-5-oxopentanoic acid is CCCCN1CCC(NC(=O)CC(C)(C)CC(=O)O)CC1.
What is the InChIKey of 5-[(1-butylpiperidin-4-yl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is YRFAGSDRYGJRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-5-8-18-9-6-13(7-10-18)17-14(19)11-16(2,3)12-15(20)21/h13H,4-12H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 5-[(1-butylpiperidin-4-yl)amino]-3,3-dimethyl-5-oxopentanoic acid?
5-[(1-butylpiperidin-4-yl)amino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 298.43 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-butylpiperidin-4-yl)amino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 62935081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).