1-[4-(cyclopropylmethylamino)piperidin-1-yl]-6-thiophen-2-ylhexan-1-one

C19H30N2OS — CID 119622425

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-6-thiophen-2-ylhexan-1-one
SMILESO=C(CCCCCc1cccs1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H30N2OS/c22-19(7-3-1-2-5-18-6-4-14-23-18)21-12-10-17(11-13-21)20-15-16-8-9-16/h4,6,14,16-17,20H,1-3,5,7-13,15H2
InChIKeyHOJJEPOHFOIZFX-UHFFFAOYSA-N
MW334.53 g/mol
LogP3.84
Rot. Bonds9

About 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-6-thiophen-2-ylhexan-1-one

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-6-thiophen-2-ylhexan-1-one (PubChem CID 119622425) has the molecular formula C19H30N2OS and a molecular weight of 334.53 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-6-thiophen-2-ylhexan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-6-thiophen-2-ylhexan-1-one
PubChem CID119622425
Molecular FormulaC19H30N2OS
Molecular Weight334.53 g/mol
Exact Mass334.21
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-6-thiophen-2-ylhexan-1-one
SMILESO=C(CCCCCc1cccs1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H30N2OS/c22-19(7-3-1-2-5-18-6-4-14-23-18)21-12-10-17(11-13-21)20-15-16-8-9-16/h4,6,14,16-17,20H,1-3,5,7-13,15H2
InChIKeyHOJJEPOHFOIZFX-UHFFFAOYSA-N
XLogP3.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 53.84
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-[3-(aminomethyl)pyrrolidin-1-yl]-6-thiophen-2-ylhexan-1-one
CID 119484105
4-(5-bromothiophen-2-yl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119625072
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-6-(4-methoxyphenyl)hexan-1-one;hydrochloride
CID 119622930
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-5-thiophen-2-ylpentan-1-one
CID 110420377
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 113268887
ethyl 4-(5-thiophen-2-ylpentanoyl)piperazine-1-carboxylate
CID 110297724
N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554283
1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea
CID 110822094
2,2,2-trifluoro-1-[4-(4-thiophen-2-ylbutylamino)piperidin-1-yl]ethanone
CID 154553551
1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 43416005
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110822079
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione;hydrochloride
CID 119623873

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-6-thiophen-2-ylhexan-1-one?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-6-thiophen-2-ylhexan-1-one (CID 119622425) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-6-thiophen-2-ylhexan-1-one.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-6-thiophen-2-ylhexan-1-one?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-6-thiophen-2-ylhexan-1-one is O=C(CCCCCc1cccs1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-6-thiophen-2-ylhexan-1-one?
The InChIKey is HOJJEPOHFOIZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2OS/c22-19(7-3-1-2-5-18-6-4-14-23-18)21-12-10-17(11-13-21)20-15-16-8-9-16/h4,6,14,16-17,20H,1-3,5,7-13,15H2.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-6-thiophen-2-ylhexan-1-one?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-6-thiophen-2-ylhexan-1-one has a molecular weight of 334.53 g/mol, XLogP of 3.84, 9 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]-6-thiophen-2-ylhexan-1-one is sourced from PubChem (CID 119622425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).