[1-(2-amino-2-methylpropyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone

C16H31N3O — CID 120847877

IUPAC[1-(2-amino-2-methylpropyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2CCN(CC(C)(C)N)CC2)C1
InChIInChI=1S/C16H31N3O/c1-13-5-4-8-19(11-13)15(20)14-6-9-18(10-7-14)12-16(2,3)17/h13-14H,4-12,17H2,1-3H3
InChIKeyXKTXOBUNNHPIRX-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.69
Rot. Bonds3

About [1-(2-amino-2-methylpropyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone

[1-(2-amino-2-methylpropyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 120847877) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is [1-(2-amino-2-methylpropyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-amino-2-methylpropyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID120847877
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name[1-(2-amino-2-methylpropyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)C2CCN(CC(C)(C)N)CC2)C1
InChIInChI=1S/C16H31N3O/c1-13-5-4-8-19(11-13)15(20)14-6-9-18(10-7-14)12-16(2,3)17/h13-14H,4-12,17H2,1-3H3
InChIKeyXKTXOBUNNHPIRX-UHFFFAOYSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azocan-1-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 87012815
azepan-1-yl-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methanone
CID 110932465
[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 111432780
3,3-difluoro-2,2-dimethyl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 100617212
[(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone
CID 807320
2-amino-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pentan-1-one
CID 119294723
(4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone
CID 91070510
4-(3-methylpiperidine-1-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 113005850
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 53409021
[(3S)-3-methylpiperidin-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methanone
CID 1096649
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 807250
1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 39981031

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-2-methylpropyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(2-amino-2-methylpropyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone (CID 120847877) is [1-(2-amino-2-methylpropyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(2-amino-2-methylpropyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(2-amino-2-methylpropyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)C2CCN(CC(C)(C)N)CC2)C1.
What is the InChIKey of [1-(2-amino-2-methylpropyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is XKTXOBUNNHPIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13-5-4-8-19(11-13)15(20)14-6-9-18(10-7-14)12-16(2,3)17/h13-14H,4-12,17H2,1-3H3.
What are the key properties of [1-(2-amino-2-methylpropyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
[1-(2-amino-2-methylpropyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 281.44 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-2-methylpropyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 120847877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).