N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3S)-1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propanamide

C22H29N3O2S — CID 26410200

IUPACN-methyl-N-(2-pyridin-2-ylethyl)-3-[(3S)-1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propanamide
SMILESCN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)Cc2cccs2)C1
InChIInChI=1S/C22H29N3O2S/c1-24(14-11-19-7-2-3-12-23-19)21(26)10-9-18-6-4-13-25(17-18)22(27)16-20-8-5-15-28-20/h2-3,5,7-8,12,15,18H,4,6,9-11,13-14,16-17H2,1H3/t18-/m0/s1
InChIKeyXBBFSYDTNKAILA-SFHVURJKSA-N
MW399.56 g/mol
LogP3.41
Rot. Bonds8

About N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3S)-1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propanamide

N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3S)-1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propanamide (PubChem CID 26410200) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3S)-1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-2-ylethyl)-3-[(3S)-1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propanamide
PubChem CID26410200
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC NameN-methyl-N-(2-pyridin-2-ylethyl)-3-[(3S)-1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propanamide
SMILESCN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)Cc2cccs2)C1
InChIInChI=1S/C22H29N3O2S/c1-24(14-11-19-7-2-3-12-23-19)21(26)10-9-18-6-4-13-25(17-18)22(27)16-20-8-5-15-28-20/h2-3,5,7-8,12,15,18H,4,6,9-11,13-14,16-17H2,1H3/t18-/m0/s1
InChIKeyXBBFSYDTNKAILA-SFHVURJKSA-N
XLogP3.41
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 45178210
N-methyl-N-(2-pyridin-2-ylethyl)-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-3-yl]propanamide
CID 45232878
N-methyl-3-[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 97282681
3-[(3S)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 42194864
3-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 45218930
N-methyl-3-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 97269848
N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3R)-1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-3-yl]propanamide
CID 25276282
3-[(3R)-1-(2,2-dimethyl-4-oxo-3H-pyran-6-carbonyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 42148033
3-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 45186154
3-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 56746231
N-methyl-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 25289755
3-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 26401309

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3S)-1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propanamide?
The IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3S)-1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propanamide (CID 26410200) is N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3S)-1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3S)-1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3S)-1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propanamide is CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)Cc2cccs2)C1.
What is the InChIKey of N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3S)-1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propanamide?
The InChIKey is XBBFSYDTNKAILA-SFHVURJKSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-24(14-11-19-7-2-3-12-23-19)21(26)10-9-18-6-4-13-25(17-18)22(27)16-20-8-5-15-28-20/h2-3,5,7-8,12,15,18H,4,6,9-11,13-14,16-17H2,1H3/t18-/m0/s1.
What are the key properties of N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3S)-1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propanamide?
N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3S)-1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propanamide has a molecular weight of 399.56 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-2-ylethyl)-3-[(3S)-1-(2-thiophen-2-ylacetyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 26410200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).