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

C16H30N2O2 — CID 119624880

IUPAC2-butoxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
SMILESCCCCOC(C)C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C16H30N2O2/c1-3-4-11-20-13(2)16(19)18-9-7-15(8-10-18)17-12-14-5-6-14/h13-15,17H,3-12H2,1-2H3
InChIKeyKVFYQIWDOUVHLT-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds8

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

2-butoxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one (PubChem CID 119624880) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-butoxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-butoxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
PubChem CID119624880
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-butoxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
SMILESCCCCOC(C)C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C16H30N2O2/c1-3-4-11-20-13(2)16(19)18-9-7-15(8-10-18)17-12-14-5-6-14/h13-15,17H,3-12H2,1-2H3
InChIKeyKVFYQIWDOUVHLT-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one
CID 119624807
2-butoxy-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119546364
1-(4-aminopiperidin-1-yl)-2-butoxypropan-1-one;hydrochloride
CID 119376332
1-[(3R)-3-aminopyrrolidin-1-yl]-2-butoxypropan-1-one
CID 119412902
(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-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
(4-butylcyclohexyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624610
3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119623980
(2R)-2-butoxy-1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]propan-1-one
CID 95758847

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-butoxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one (CID 119624880) is 2-butoxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-butoxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-butoxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one is CCCCOC(C)C(=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 2-butoxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one?
The InChIKey is KVFYQIWDOUVHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-4-11-20-13(2)16(19)18-9-7-15(8-10-18)17-12-14-5-6-14/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 2-butoxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one?
2-butoxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one has a molecular weight of 282.43 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119624880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).