(1-aminopiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone

C13H26N4O — CID 118533445

IUPAC(1-aminopiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)C2CCN(N)CC2)CC1
InChIInChI=1S/C13H26N4O/c1-15(2)12-5-7-16(8-6-12)13(18)11-3-9-17(14)10-4-11/h11-12H,3-10,14H2,1-2H3
InChIKeyKAXJQTVXKJWUFH-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.12
Rot. Bonds2

About (1-aminopiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone

(1-aminopiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 118533445) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is (1-aminopiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminopiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
PubChem CID118533445
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name(1-aminopiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)C2CCN(N)CC2)CC1
InChIInChI=1S/C13H26N4O/c1-15(2)12-5-7-16(8-6-12)13(18)11-3-9-17(14)10-4-11/h11-12H,3-10,14H2,1-2H3
InChIKeyKAXJQTVXKJWUFH-UHFFFAOYSA-N
XLogP0.12
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 60763903
(4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone
CID 174315693
[4-(dimethylamino)piperidin-1-yl]-(3-methoxycyclobutyl)methanone
CID 154866121
4-(dimethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 110470375
2-[4-(dimethylamino)piperidin-1-yl]-2-oxoacetic acid
CID 43586380
1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 60579640
cyclopropyl-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63090748
4-(dimethylamino)piperidine-1-carbonyl chloride;hydrochloride
CID 155821051
1-[4-(dimethylamino)piperidin-1-yl]ethanone;propane
CID 143677842
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-methylamino]acetic acid
CID 43356245
(2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 79011713

Frequently Asked Questions

What is the IUPAC name of (1-aminopiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of (1-aminopiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone (CID 118533445) is (1-aminopiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (1-aminopiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for (1-aminopiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCN(C(=O)C2CCN(N)CC2)CC1.
What is the InChIKey of (1-aminopiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is KAXJQTVXKJWUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-15(2)12-5-7-16(8-6-12)13(18)11-3-9-17(14)10-4-11/h11-12H,3-10,14H2,1-2H3.
What are the key properties of (1-aminopiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone?
(1-aminopiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone has a molecular weight of 254.38 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminopiperidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 118533445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).