5-[(4-propylpiperidine-4-carbonyl)amino]hexanoic acid

C15H28N2O3 — CID 82846529

IUPAC5-[(4-propylpiperidine-4-carbonyl)amino]hexanoic acid
SMILESCCCC1(C(=O)NC(C)CCCC(=O)O)CCNCC1
InChIInChI=1S/C15H28N2O3/c1-3-7-15(8-10-16-11-9-15)14(20)17-12(2)5-4-6-13(18)19/h12,16H,3-11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyHEONVRDANRBRGQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.92
Rot. Bonds8

About 5-[(4-propylpiperidine-4-carbonyl)amino]hexanoic acid

5-[(4-propylpiperidine-4-carbonyl)amino]hexanoic acid (PubChem CID 82846529) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-[(4-propylpiperidine-4-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(4-propylpiperidine-4-carbonyl)amino]hexanoic acid
PubChem CID82846529
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name5-[(4-propylpiperidine-4-carbonyl)amino]hexanoic acid
SMILESCCCC1(C(=O)NC(C)CCCC(=O)O)CCNCC1
InChIInChI=1S/C15H28N2O3/c1-3-7-15(8-10-16-11-9-15)14(20)17-12(2)5-4-6-13(18)19/h12,16H,3-11H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyHEONVRDANRBRGQ-UHFFFAOYSA-N
XLogP1.92
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
CID 63128810
N-(1-hydroxypropan-2-yl)-4-propylpiperidine-4-carboxamide
CID 63127682
N-(3-methylpentan-2-yl)-4-propylpiperidine-4-carboxamide
CID 55178364
3-methyl-4-[(4-propylpiperidine-4-carbonyl)amino]butanoic acid
CID 81073203
N-[(1S)-1-cyclohexylethyl]-4-propylpiperidine-4-carboxamide
CID 81385508
N-[1-(diethylamino)-1-oxopropan-2-yl]-4-propylpiperidine-4-carboxamide
CID 63128141
5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]hexanoic acid
CID 82847028
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81348727
N-(2-methylbutyl)-4-propylpiperidine-4-carboxamide
CID 63129494
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81357228
N-(1-cyanobutan-2-yl)-4-propylpiperidine-4-carboxamide
CID 63129472
4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide
CID 107218997

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propylpiperidine-4-carbonyl)amino]hexanoic acid?
The IUPAC name of 5-[(4-propylpiperidine-4-carbonyl)amino]hexanoic acid (CID 82846529) is 5-[(4-propylpiperidine-4-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(4-propylpiperidine-4-carbonyl)amino]hexanoic acid?
The canonical SMILES for 5-[(4-propylpiperidine-4-carbonyl)amino]hexanoic acid is CCCC1(C(=O)NC(C)CCCC(=O)O)CCNCC1.
What is the InChIKey of 5-[(4-propylpiperidine-4-carbonyl)amino]hexanoic acid?
The InChIKey is HEONVRDANRBRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-7-15(8-10-16-11-9-15)14(20)17-12(2)5-4-6-13(18)19/h12,16H,3-11H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 5-[(4-propylpiperidine-4-carbonyl)amino]hexanoic acid?
5-[(4-propylpiperidine-4-carbonyl)amino]hexanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.92, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propylpiperidine-4-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 82846529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).