3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one

C14H27N3O — CID 113411272

IUPAC3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCN1CCCC(NCCC(=O)N2CCCCC2)C1
InChIInChI=1S/C14H27N3O/c1-16-9-5-6-13(12-16)15-8-7-14(18)17-10-3-2-4-11-17/h13,15H,2-12H2,1H3
InChIKeyYLNCRAWHCPNZKS-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds4

About 3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one

3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 113411272) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID113411272
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCN1CCCC(NCCC(=O)N2CCCCC2)C1
InChIInChI=1S/C14H27N3O/c1-16-9-5-6-13(12-16)15-8-7-14(18)17-10-3-2-4-11-17/h13,15H,2-12H2,1H3
InChIKeyYLNCRAWHCPNZKS-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 61462383
3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112549732
3-[[3-(2-methylpropyl)cyclohexyl]amino]-1-piperidin-1-ylpropan-1-one
CID 107428755
3-[(3-cyclopropylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 64593683
1-pyrrolidin-1-yl-3-(pyrrolidin-3-ylamino)propan-1-one
CID 79724661
3-[(1-methylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62655429
N-(2-chloroethyl)-1-methylpiperidin-3-amine
CID 115214671
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 115584441
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxamide
CID 83199504
3-(cyclopropylamino)-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107217060
ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate
CID 43768044
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43768079

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one (CID 113411272) is 3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one is CN1CCCC(NCCC(=O)N2CCCCC2)C1.
What is the InChIKey of 3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is YLNCRAWHCPNZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16-9-5-6-13(12-16)15-8-7-14(18)17-10-3-2-4-11-17/h13,15H,2-12H2,1H3.
What are the key properties of 3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one?
3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 253.39 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-3-yl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 113411272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).