(2S)-N-(1-benzothiophen-2-ylmethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide

C19H25N3OS — CID 118795564

IUPAC(2S)-N-(1-benzothiophen-2-ylmethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESO=C(NCc1cc2ccccc2s1)[C@@H]1CCCN1C1CCNCC1
InChIInChI=1S/C19H25N3OS/c23-19(17-5-3-11-22(17)15-7-9-20-10-8-15)21-13-16-12-14-4-1-2-6-18(14)24-16/h1-2,4,6,12,15,17,20H,3,5,7-11,13H2,(H,21,23)/t17-/m0/s1
InChIKeyKMZCRUQVULXOSD-KRWDZBQOSA-N
MW343.50 g/mol
LogP2.73
Rot. Bonds4

About (2S)-N-(1-benzothiophen-2-ylmethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide

(2S)-N-(1-benzothiophen-2-ylmethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide (PubChem CID 118795564) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is (2S)-N-(1-benzothiophen-2-ylmethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-benzothiophen-2-ylmethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
PubChem CID118795564
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name(2S)-N-(1-benzothiophen-2-ylmethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESO=C(NCc1cc2ccccc2s1)[C@@H]1CCCN1C1CCNCC1
InChIInChI=1S/C19H25N3OS/c23-19(17-5-3-11-22(17)15-7-9-20-10-8-15)21-13-16-12-14-4-1-2-6-18(14)24-16/h1-2,4,6,12,15,17,20H,3,5,7-11,13H2,(H,21,23)/t17-/m0/s1
InChIKeyKMZCRUQVULXOSD-KRWDZBQOSA-N
XLogP2.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid
CID 61158377
N-(2,2-difluoro-3-hydroxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 106176774
1-piperidin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 61020009
(3R)-N-(1-benzothiophen-2-ylmethyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 125129924
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902
(2S)-N-[(3-ethylimidazol-4-yl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide;dihydrochloride
CID 154911197
N-(5-hydroxypentyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 107317753
N-[(2-methylcyclopentyl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 107418457
N-(6-methyl-2-pyridinyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61019426
1-piperidin-4-yl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide
CID 61460772
N-(4-chlorophenyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61020001
3-phenyl-1-(1-piperidin-4-ylpyrrolidin-2-yl)propan-1-one
CID 116559712

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-benzothiophen-2-ylmethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(1-benzothiophen-2-ylmethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide (CID 118795564) is (2S)-N-(1-benzothiophen-2-ylmethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(1-benzothiophen-2-ylmethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(1-benzothiophen-2-ylmethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide is O=C(NCc1cc2ccccc2s1)[C@@H]1CCCN1C1CCNCC1.
What is the InChIKey of (2S)-N-(1-benzothiophen-2-ylmethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is KMZCRUQVULXOSD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3OS/c23-19(17-5-3-11-22(17)15-7-9-20-10-8-15)21-13-16-12-14-4-1-2-6-18(14)24-16/h1-2,4,6,12,15,17,20H,3,5,7-11,13H2,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-N-(1-benzothiophen-2-ylmethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide?
(2S)-N-(1-benzothiophen-2-ylmethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 343.50 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-benzothiophen-2-ylmethyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 118795564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).