2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone

C12H25N3O — CID 82938717

IUPAC2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone
SMILESCC(CN(C)C)NCC(=O)N1CCCCC1
InChIInChI=1S/C12H25N3O/c1-11(10-14(2)3)13-9-12(16)15-7-5-4-6-8-15/h11,13H,4-10H2,1-3H3
InChIKeyPIQFUWBPXVCQER-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.54
Rot. Bonds5

About 2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone

2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone (PubChem CID 82938717) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone
PubChem CID82938717
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone
SMILESCC(CN(C)C)NCC(=O)N1CCCCC1
InChIInChI=1S/C12H25N3O/c1-11(10-14(2)3)13-9-12(16)15-7-5-4-6-8-15/h11,13H,4-10H2,1-3H3
InChIKeyPIQFUWBPXVCQER-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
(2S)-2-[[2-(azocan-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194502
N,N-dimethyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanamide
CID 60711283
1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone
CID 43179556
N-[1-(dimethylamino)propan-2-yl]piperidine-1-carboxamide
CID 116657221
2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 83176699
2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 43372218
2-(3-methylbutan-2-ylamino)-1-piperidin-1-ylethanone
CID 43086362
3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanamide
CID 115676331
1-(azepan-1-yl)-2-(heptan-2-ylamino)ethanone
CID 60688159
6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid
CID 65288885
1-(azepan-1-yl)-2-(3,3-dimethylbutan-2-ylamino)ethanone
CID 115626974

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone (CID 82938717) is 2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone is CC(CN(C)C)NCC(=O)N1CCCCC1.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone?
The InChIKey is PIQFUWBPXVCQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-11(10-14(2)3)13-9-12(16)15-7-5-4-6-8-15/h11,13H,4-10H2,1-3H3.
What are the key properties of 2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone?
2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone has a molecular weight of 227.35 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 82938717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).