5-[(4-cyclopropylpiperazine-1-carbonyl)amino]hexanoic acid

C14H25N3O3 — CID 82847997

IUPAC5-[(4-cyclopropylpiperazine-1-carbonyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C14H25N3O3/c1-11(3-2-4-13(18)19)15-14(20)17-9-7-16(8-10-17)12-5-6-12/h11-12H,2-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyDFVBYGUPHWKFFJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.12
Rot. Bonds6

About 5-[(4-cyclopropylpiperazine-1-carbonyl)amino]hexanoic acid

5-[(4-cyclopropylpiperazine-1-carbonyl)amino]hexanoic acid (PubChem CID 82847997) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 5-[(4-cyclopropylpiperazine-1-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(4-cyclopropylpiperazine-1-carbonyl)amino]hexanoic acid
PubChem CID82847997
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name5-[(4-cyclopropylpiperazine-1-carbonyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C14H25N3O3/c1-11(3-2-4-13(18)19)15-14(20)17-9-7-16(8-10-17)12-5-6-12/h11-12H,2-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyDFVBYGUPHWKFFJ-UHFFFAOYSA-N
XLogP1.12
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid
CID 82846094
5-(piperidine-1-carbonylamino)hexanoic acid
CID 82854268
5-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]hexanoic acid
CID 82848014
5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid
CID 82848661
2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 61442848
(2R)-2-[(4-cyclopentylpiperazine-1-carbonyl)amino]propanoic acid
CID 78989393
(2S)-2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61442803
4-[(4,4-dimethylazepane-1-carbonyl)amino]pentanoic acid
CID 65282846
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)hexanoic acid
CID 82848019
4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid
CID 4742011
3-[4-(pentan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61182383
5-[(2-carbamoylpiperidine-1-carbonyl)amino]hexanoic acid
CID 82848994

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyclopropylpiperazine-1-carbonyl)amino]hexanoic acid?
The IUPAC name of 5-[(4-cyclopropylpiperazine-1-carbonyl)amino]hexanoic acid (CID 82847997) is 5-[(4-cyclopropylpiperazine-1-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(4-cyclopropylpiperazine-1-carbonyl)amino]hexanoic acid?
The canonical SMILES for 5-[(4-cyclopropylpiperazine-1-carbonyl)amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)N1CCN(C2CC2)CC1.
What is the InChIKey of 5-[(4-cyclopropylpiperazine-1-carbonyl)amino]hexanoic acid?
The InChIKey is DFVBYGUPHWKFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-11(3-2-4-13(18)19)15-14(20)17-9-7-16(8-10-17)12-5-6-12/h11-12H,2-10H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 5-[(4-cyclopropylpiperazine-1-carbonyl)amino]hexanoic acid?
5-[(4-cyclopropylpiperazine-1-carbonyl)amino]hexanoic acid has a molecular weight of 283.37 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyclopropylpiperazine-1-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 82847997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).