[4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-cyclopropylmethanone

C14H19BrN2OS — CID 43434784

IUPAC[4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCC(NCc2cc(Br)cs2)CC1
InChIInChI=1S/C14H19BrN2OS/c15-11-7-13(19-9-11)8-16-12-3-5-17(6-4-12)14(18)10-1-2-10/h7,9-10,12,16H,1-6,8H2
InChIKeyLVPZHUVRBSXPBS-UHFFFAOYSA-N
MW343.29 g/mol
LogP3.00
Rot. Bonds4

About [4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-cyclopropylmethanone

[4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-cyclopropylmethanone (PubChem CID 43434784) has the molecular formula C14H19BrN2OS and a molecular weight of 343.29 g/mol. Its IUPAC name is [4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-cyclopropylmethanone
PubChem CID43434784
Molecular FormulaC14H19BrN2OS
Molecular Weight343.29 g/mol
Exact Mass342.04
IUPAC Name[4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCC(NCc2cc(Br)cs2)CC1
InChIInChI=1S/C14H19BrN2OS/c15-11-7-13(19-9-11)8-16-12-3-5-17(6-4-12)14(18)10-1-2-10/h7,9-10,12,16H,1-6,8H2
InChIKeyLVPZHUVRBSXPBS-UHFFFAOYSA-N
XLogP3.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-cyclopropylmethanone with MolForge

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Related Compounds

1-[4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 43747754
cyclopropyl-[4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]piperidin-1-yl]methanone
CID 56808711
cyclopropyl-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434770
N-[(4-bromothiophen-2-yl)methyl]-1-tert-butylpiperidin-4-amine
CID 54866584
cyclopropyl-[4-[(3,5-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 60789546
N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide
CID 47250199
[4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 83232075
cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434750
cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone
CID 43747864
N-[(4-bromothiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696389
1-[(3S)-3-[(4-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone
CID 145484891
cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone
CID 43434758

Frequently Asked Questions

What is the IUPAC name of [4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-cyclopropylmethanone (CID 43434784) is [4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCC(NCc2cc(Br)cs2)CC1.
What is the InChIKey of [4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is LVPZHUVRBSXPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2OS/c15-11-7-13(19-9-11)8-16-12-3-5-17(6-4-12)14(18)10-1-2-10/h7,9-10,12,16H,1-6,8H2.
What are the key properties of [4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-cyclopropylmethanone?
[4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 343.29 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 43434784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).