N-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide

C22H29N3O2S — CID 55738004

IUPACN-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
SMILESCN(Cc1ccsc1)C(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C22H29N3O2S/c1-24(15-19-11-14-28-17-19)22(27)16-25-12-9-20(10-13-25)23-21(26)8-7-18-5-3-2-4-6-18/h2-6,11,14,17,20H,7-10,12-13,15-16H2,1H3,(H,23,26)
InChIKeyHPGOPRKTNBAMSD-UHFFFAOYSA-N
MW399.56 g/mol
LogP2.92
Rot. Bonds8

About N-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide

N-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide (PubChem CID 55738004) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is N-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
PubChem CID55738004
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC NameN-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
SMILESCN(Cc1ccsc1)C(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C22H29N3O2S/c1-24(15-19-11-14-28-17-19)22(27)16-25-12-9-20(10-13-25)23-21(26)8-7-18-5-3-2-4-6-18/h2-6,11,14,17,20H,7-10,12-13,15-16H2,1H3,(H,23,26)
InChIKeyHPGOPRKTNBAMSD-UHFFFAOYSA-N
XLogP2.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide
CID 16613440
1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441613
N-methyl-2-[4-(methylaminomethyl)piperidin-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 63248532
2-(4-formylpiperidin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62654113
N-[1-(3-phenylpropyl)piperidin-3-yl]-3-thiophen-3-ylpropanamide
CID 45181504
N-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
CID 46038156
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 43162389
N-benzyl-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905657
N-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738194
2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 102977518
N-(1-ethylpiperidin-4-yl)-4-phenylbutanamide
CID 17250229
N-[1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55738132

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide (CID 55738004) is N-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide is CN(Cc1ccsc1)C(=O)CN1CCC(NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is HPGOPRKTNBAMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-24(15-19-11-14-28-17-19)22(27)16-25-12-9-20(10-13-25)23-21(26)8-7-18-5-3-2-4-6-18/h2-6,11,14,17,20H,7-10,12-13,15-16H2,1H3,(H,23,26).
What are the key properties of N-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide?
N-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 399.56 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 55738004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).