(5-amino-6-oxo-6-piperidin-1-ylhexyl)carbamic acid

C12H23N3O3 — CID 91486448

IUPAC(5-amino-6-oxo-6-piperidin-1-ylhexyl)carbamic acid
SMILESNC(CCCCNC(=O)O)C(=O)N1CCCCC1
InChIInChI=1S/C12H23N3O3/c13-10(6-2-3-7-14-12(17)18)11(16)15-8-4-1-5-9-15/h10,14H,1-9,13H2,(H,17,18)
InChIKeyVPLDKQBCNYHEQB-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.76
Rot. Bonds6

About (5-amino-6-oxo-6-piperidin-1-ylhexyl)carbamic acid

(5-amino-6-oxo-6-piperidin-1-ylhexyl)carbamic acid (PubChem CID 91486448) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is (5-amino-6-oxo-6-piperidin-1-ylhexyl)carbamic acid.

Molecular Properties

Compound Name(5-amino-6-oxo-6-piperidin-1-ylhexyl)carbamic acid
PubChem CID91486448
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name(5-amino-6-oxo-6-piperidin-1-ylhexyl)carbamic acid
SMILESNC(CCCCNC(=O)O)C(=O)N1CCCCC1
InChIInChI=1S/C12H23N3O3/c13-10(6-2-3-7-14-12(17)18)11(16)15-8-4-1-5-9-15/h10,14H,1-9,13H2,(H,17,18)
InChIKeyVPLDKQBCNYHEQB-UHFFFAOYSA-N
XLogP0.76
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.76
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

2,4-diamino-1-piperidin-1-ylbutan-1-one
CID 24906298
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
4-aminobutylcarbamic acid;2,6-diaminohexanoic acid
CID 174985893
[5-amino-6-oxo-6-(propylamino)hexyl]carbamic acid
CID 57250852
1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide
CID 60963512
2-amino-4-(cyclohexylmethylamino)-1-piperidin-1-ylbutan-1-one;dihydrochloride
CID 69237745
N-[(5S)-5-amino-6-[(2R,3R,4R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-1-oxa-6-azacyclododec-6-yl]-6-oxohexyl]acetamide
CID 175653324
6-[(4-acetylpiperazine-1-carbonyl)amino]-2-aminohexanoic acid
CID 130218221
[5-amino-6-(cyanomethylamino)-6-oxohexyl]carbamic acid
CID 87849237
benzyl 4-[[(4S)-4-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl]amino]butanoate
CID 90876674
(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
CID 22690990
N-[(5S)-5-amino-6-(3-methylazetidin-1-yl)-6-oxohexyl]-3-methylquinoxaline-2-carboxamide
CID 143006324

Frequently Asked Questions

What is the IUPAC name of (5-amino-6-oxo-6-piperidin-1-ylhexyl)carbamic acid?
The IUPAC name of (5-amino-6-oxo-6-piperidin-1-ylhexyl)carbamic acid (CID 91486448) is (5-amino-6-oxo-6-piperidin-1-ylhexyl)carbamic acid.
What is the SMILES notation for (5-amino-6-oxo-6-piperidin-1-ylhexyl)carbamic acid?
The canonical SMILES for (5-amino-6-oxo-6-piperidin-1-ylhexyl)carbamic acid is NC(CCCCNC(=O)O)C(=O)N1CCCCC1.
What is the InChIKey of (5-amino-6-oxo-6-piperidin-1-ylhexyl)carbamic acid?
The InChIKey is VPLDKQBCNYHEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c13-10(6-2-3-7-14-12(17)18)11(16)15-8-4-1-5-9-15/h10,14H,1-9,13H2,(H,17,18).
What are the key properties of (5-amino-6-oxo-6-piperidin-1-ylhexyl)carbamic acid?
(5-amino-6-oxo-6-piperidin-1-ylhexyl)carbamic acid has a molecular weight of 257.33 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-6-oxo-6-piperidin-1-ylhexyl)carbamic acid is sourced from PubChem (CID 91486448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).