N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide

C22H32N4OS — CID 68774075

IUPACN-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide
SMILESCC(CCN)N1CCC(N(Cc2ccsc2)C(=O)CCc2ccncc2)CC1
InChIInChI=1S/C22H32N4OS/c1-18(4-10-23)25-13-7-21(8-14-25)26(16-20-9-15-28-17-20)22(27)3-2-19-5-11-24-12-6-19/h5-6,9,11-12,15,17-18,21H,2-4,7-8,10,13-14,16,23H2,1H3
InChIKeyWTIHWKGKCVVEEO-UHFFFAOYSA-N
MW400.59 g/mol
LogP3.31
Rot. Bonds9

About N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide

N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 68774075) has the molecular formula C22H32N4OS and a molecular weight of 400.59 g/mol. Its IUPAC name is N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide
PubChem CID68774075
Molecular FormulaC22H32N4OS
Molecular Weight400.59 g/mol
Exact Mass400.23
IUPAC NameN-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide
SMILESCC(CCN)N1CCC(N(Cc2ccsc2)C(=O)CCc2ccncc2)CC1
InChIInChI=1S/C22H32N4OS/c1-18(4-10-23)25-13-7-21(8-14-25)26(16-20-9-15-28-17-20)22(27)3-2-19-5-11-24-12-6-19/h5-6,9,11-12,15,17-18,21H,2-4,7-8,10,13-14,16,23H2,1H3
InChIKeyWTIHWKGKCVVEEO-UHFFFAOYSA-N
XLogP3.31
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-cyclohexyl-N-(thiophen-3-ylmethyl)propanamide
CID 68774007
N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-2-pyridin-4-ylsulfanyl-N-(thiophen-3-ylmethyl)ethanethioamide
CID 87569578
(4S)-N-cyclopropyl-4-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pentanamide
CID 124754969
4-[[1-(4-aminobutan-2-yl)piperidin-4-yl]-(thiophen-3-ylmethyl)amino]benzamide
CID 68970752
2-[4-[[1-[(2R)-4-aminobutan-2-yl]piperidin-4-yl]-(thiophen-3-ylmethyl)amino]phenoxy]acetamide
CID 68974012
3-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-pyridin-4-ylbenzamide
CID 140534991
5-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide
CID 140535049
1-[(2R)-4-aminobutan-2-yl]-N-(thiophen-3-ylmethyl)piperidin-4-amine;hydrochloride
CID 71743675
5-[(3R)-3-[4-[(2-cyanoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide
CID 140534969
1-[1-[(2R)-6-(2,6-dichloro-4-methyl-3-pyridinyl)-6-oxohexan-2-yl]piperidin-4-yl]-1-(thiophen-3-ylmethyl)urea
CID 59590696
2-[(3R)-3-[4-[pyridin-2-ylmethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 140534996
2-[(3R)-3-[4-[(2-methoxyethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide
CID 140535015

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide (CID 68774075) is N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide is CC(CCN)N1CCC(N(Cc2ccsc2)C(=O)CCc2ccncc2)CC1.
What is the InChIKey of N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is WTIHWKGKCVVEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4OS/c1-18(4-10-23)25-13-7-21(8-14-25)26(16-20-9-15-28-17-20)22(27)3-2-19-5-11-24-12-6-19/h5-6,9,11-12,15,17-18,21H,2-4,7-8,10,13-14,16,23H2,1H3.
What are the key properties of N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide?
N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 400.59 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 68774075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).