1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one

C14H26N2O2 — CID 119624807

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one
SMILESCCOC(C)C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-3-18-11(2)14(17)16-8-6-13(7-9-16)15-10-12-4-5-12/h11-13,15H,3-10H2,1-2H3
InChIKeyBXJFBTAPDZJUPV-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds6

About 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one (PubChem CID 119624807) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one
PubChem CID119624807
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one
SMILESCCOC(C)C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C14H26N2O2/c1-3-18-11(2)14(17)16-8-6-13(7-9-16)15-10-12-4-5-12/h11-13,15H,3-10H2,1-2H3
InChIKeyBXJFBTAPDZJUPV-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butoxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119624880
2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647696
(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 121230409
(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 121230377
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride
CID 119621849
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one;hydrochloride
CID 119622420
2-methyl-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]propan-1-one
CID 62386340
4-(cyclopropylmethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 115307162
3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119623980
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[(3-methoxyphenyl)methoxy]propan-1-one;hydrochloride
CID 119623387
2-(cyclohexylmethyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 119623970
2-(3-acetylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
CID 119622024

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one (CID 119624807) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one is CCOC(C)C(=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one?
The InChIKey is BXJFBTAPDZJUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-18-11(2)14(17)16-8-6-13(7-9-16)15-10-12-4-5-12/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one is sourced from PubChem (CID 119624807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).