1-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]ethanone

C15H25N3O — CID 43791036

IUPAC1-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
SMILESC#CCN1CCC(NC2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C15H25N3O/c1-3-8-17-9-4-14(5-10-17)16-15-6-11-18(12-7-15)13(2)19/h1,14-16H,4-12H2,2H3
InChIKeyLTOWTNBCARSKFW-UHFFFAOYSA-N
MW263.38 g/mol
LogP0.68
Rot. Bonds3

About 1-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]ethanone

1-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]ethanone (PubChem CID 43791036) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
PubChem CID43791036
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
SMILESC#CCN1CCC(NC2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C15H25N3O/c1-3-8-17-9-4-14(5-10-17)16-15-6-11-18(12-7-15)13(2)19/h1,14-16H,4-12H2,2H3
InChIKeyLTOWTNBCARSKFW-UHFFFAOYSA-N
XLogP0.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]acetamide
CID 43782791
1-methyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine
CID 43775828
N-(3,5-dimethylcyclohexyl)-1-prop-2-ynylpiperidin-4-amine
CID 64733626
1-[4-(cyclopentylamino)piperidin-1-yl]ethanone
CID 43222863
1-(4-prop-2-ynyl-1,4-diazepan-1-yl)ethanone
CID 60699723
2-[(1-prop-2-ynylpiperidin-4-yl)amino]acetic acid
CID 43774231
1,2-dimethyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine
CID 81343454
N-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide
CID 43756950
1-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
CID 43223565
1-[4-[(4-propylcyclohexyl)amino]piperidin-1-yl]ethanone
CID 43224264
2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol
CID 43774102
N-(3,3-dimethylbutan-2-yl)-1-prop-2-ynylpiperidin-4-amine
CID 115719159

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]ethanone (CID 43791036) is 1-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]ethanone is C#CCN1CCC(NC2CCN(C(C)=O)CC2)CC1.
What is the InChIKey of 1-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is LTOWTNBCARSKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-8-17-9-4-14(5-10-17)16-15-6-11-18(12-7-15)13(2)19/h1,14-16H,4-12H2,2H3.
What are the key properties of 1-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]ethanone?
1-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 263.38 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43791036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).