[(3R,4R)-4-(1-benzothiophen-3-ylmethylamino)-3-methylpiperidin-1-yl]-cyclopropylmethanone

C19H24N2OS — CID 96513555

IUPAC[(3R,4R)-4-(1-benzothiophen-3-ylmethylamino)-3-methylpiperidin-1-yl]-cyclopropylmethanone
SMILESC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1csc2ccccc12
InChIInChI=1S/C19H24N2OS/c1-13-11-21(19(22)14-6-7-14)9-8-17(13)20-10-15-12-23-18-5-3-2-4-16(15)18/h2-5,12-14,17,20H,6-11H2,1H3/t13-,17-/m1/s1
InChIKeyLEKAMMQRPQIESZ-CXAGYDPISA-N
MW328.48 g/mol
LogP3.64
Rot. Bonds4

About [(3R,4R)-4-(1-benzothiophen-3-ylmethylamino)-3-methylpiperidin-1-yl]-cyclopropylmethanone

[(3R,4R)-4-(1-benzothiophen-3-ylmethylamino)-3-methylpiperidin-1-yl]-cyclopropylmethanone (PubChem CID 96513555) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is [(3R,4R)-4-(1-benzothiophen-3-ylmethylamino)-3-methylpiperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(3R,4R)-4-(1-benzothiophen-3-ylmethylamino)-3-methylpiperidin-1-yl]-cyclopropylmethanone
PubChem CID96513555
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name[(3R,4R)-4-(1-benzothiophen-3-ylmethylamino)-3-methylpiperidin-1-yl]-cyclopropylmethanone
SMILESC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1csc2ccccc12
InChIInChI=1S/C19H24N2OS/c1-13-11-21(19(22)14-6-7-14)9-8-17(13)20-10-15-12-23-18-5-3-2-4-16(15)18/h2-5,12-14,17,20H,6-11H2,1H3/t13-,17-/m1/s1
InChIKeyLEKAMMQRPQIESZ-CXAGYDPISA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R,4R)-4-(1-benzothiophen-3-ylmethylamino)-3-methylpiperidin-1-yl]-cyclopropylmethanone with MolForge

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Related Compounds

1-[(3S,4R)-4-(1-benzothiophen-3-ylmethylamino)-3-methylpiperidin-1-yl]propan-1-one
CID 96513402
1-[4-(1-benzothiophen-3-ylmethylamino)-3-methylpiperidin-1-yl]propan-1-one
CID 71927553
[(3R,4S)-4-[(2-chlorophenyl)methylamino]-3-methylpiperidin-1-yl]-cyclopropylmethanone
CID 96513589
cyclopropyl-[(3S,4S)-3-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]methanone
CID 96513528
cyclopropyl-[3-methyl-4-(3-phenylprop-2-enylamino)piperidin-1-yl]methanone
CID 71927484
cyclopropyl-[(3R,4R)-4-[(4-methoxyphenyl)methylamino]-3-methylpiperidin-1-yl]methanone
CID 97024595
[(3S,4R)-4-[(4-chloro-3-fluorophenyl)methylamino]-3-methylpiperidin-1-yl]-cyclopropylmethanone
CID 96513568
cyclopropyl-[(3R,4R)-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]methanone
CID 96513611
cyclopropyl-[(3R,4R)-3-ethyl-4-[(2-fluorophenyl)methylamino]piperidin-1-yl]methanone
CID 97097565
cyclopropyl-[(3S,4R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methylpiperidin-1-yl]methanone
CID 97024600
cyclopropyl-[(3R,4R)-3-methyl-4-[(4-propoxyphenyl)methylamino]piperidin-1-yl]methanone
CID 97027957
4-[(1-benzothiophen-3-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79529921

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-(1-benzothiophen-3-ylmethylamino)-3-methylpiperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [(3R,4R)-4-(1-benzothiophen-3-ylmethylamino)-3-methylpiperidin-1-yl]-cyclopropylmethanone (CID 96513555) is [(3R,4R)-4-(1-benzothiophen-3-ylmethylamino)-3-methylpiperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [(3R,4R)-4-(1-benzothiophen-3-ylmethylamino)-3-methylpiperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [(3R,4R)-4-(1-benzothiophen-3-ylmethylamino)-3-methylpiperidin-1-yl]-cyclopropylmethanone is C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1csc2ccccc12.
What is the InChIKey of [(3R,4R)-4-(1-benzothiophen-3-ylmethylamino)-3-methylpiperidin-1-yl]-cyclopropylmethanone?
The InChIKey is LEKAMMQRPQIESZ-CXAGYDPISA-N. The full InChI is InChI=1S/C19H24N2OS/c1-13-11-21(19(22)14-6-7-14)9-8-17(13)20-10-15-12-23-18-5-3-2-4-16(15)18/h2-5,12-14,17,20H,6-11H2,1H3/t13-,17-/m1/s1.
What are the key properties of [(3R,4R)-4-(1-benzothiophen-3-ylmethylamino)-3-methylpiperidin-1-yl]-cyclopropylmethanone?
[(3R,4R)-4-(1-benzothiophen-3-ylmethylamino)-3-methylpiperidin-1-yl]-cyclopropylmethanone has a molecular weight of 328.48 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-(1-benzothiophen-3-ylmethylamino)-3-methylpiperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 96513555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).