4-[(3S)-3-[[(1R)-1-(5-chlorothiophen-2-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide

C23H30ClN3OS — CID 91509964

IUPAC4-[(3S)-3-[[(1R)-1-(5-chlorothiophen-2-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide
SMILESC[C@@H](N[C@H]1CCC(c2ccc(C(=O)NC3CCNCC3)cc2)C1)c1ccc(Cl)s1
InChIInChI=1S/C23H30ClN3OS/c1-15(21-8-9-22(24)29-21)26-20-7-6-18(14-20)16-2-4-17(5-3-16)23(28)27-19-10-12-25-13-11-19/h2-5,8-9,15,18-20,25-26H,6-7,10-14H2,1H3,(H,27,28)/t15-,18?,20+/m1/s1
InChIKeyRLOUESCDQLAUCV-BIYUGTDDSA-N
MW432.03 g/mol
LogP4.87
Rot. Bonds6

About 4-[(3S)-3-[[(1R)-1-(5-chlorothiophen-2-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide

4-[(3S)-3-[[(1R)-1-(5-chlorothiophen-2-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide (PubChem CID 91509964) has the molecular formula C23H30ClN3OS and a molecular weight of 432.03 g/mol. Its IUPAC name is 4-[(3S)-3-[[(1R)-1-(5-chlorothiophen-2-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name4-[(3S)-3-[[(1R)-1-(5-chlorothiophen-2-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide
PubChem CID91509964
Molecular FormulaC23H30ClN3OS
Molecular Weight432.03 g/mol
Exact Mass431.18
IUPAC Name4-[(3S)-3-[[(1R)-1-(5-chlorothiophen-2-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide
SMILESC[C@@H](N[C@H]1CCC(c2ccc(C(=O)NC3CCNCC3)cc2)C1)c1ccc(Cl)s1
InChIInChI=1S/C23H30ClN3OS/c1-15(21-8-9-22(24)29-21)26-20-7-6-18(14-20)16-2-4-17(5-3-16)23(28)27-19-10-12-25-13-11-19/h2-5,8-9,15,18-20,25-26H,6-7,10-14H2,1H3,(H,27,28)/t15-,18?,20+/m1/s1
InChIKeyRLOUESCDQLAUCV-BIYUGTDDSA-N
XLogP4.87
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.03
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(3S)-3-[[(1R)-1-(5-chlorothiophen-2-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide with MolForge

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Related Compounds

4-[(3S)-3-[[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide
CID 91249306
3-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine
CID 43692587
3-[1-(5-chlorothiophen-2-yl)ethylamino]-N-cyclopropylbenzamide
CID 43439080
methyl 4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexane-1-carboxylate
CID 67844920
N-[1-(5-chlorothiophen-2-yl)ethyl]piperidine-4-carboxamide
CID 43705040
N-piperidin-4-yl-4-propanoylbenzamide
CID 119388743
4-chloro-N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]benzamide;hydrochloride
CID 119389974
4-acetamido-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385704
N-(azepan-4-yl)-5-chlorothiophene-2-carboxamide
CID 105058867
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea
CID 115617781
propan-2-yl 3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoate
CID 67844937
N-piperidin-4-yl-4-sulfanylbenzamide
CID 107023949

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-[[(1R)-1-(5-chlorothiophen-2-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide?
The IUPAC name of 4-[(3S)-3-[[(1R)-1-(5-chlorothiophen-2-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide (CID 91509964) is 4-[(3S)-3-[[(1R)-1-(5-chlorothiophen-2-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 4-[(3S)-3-[[(1R)-1-(5-chlorothiophen-2-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide?
The canonical SMILES for 4-[(3S)-3-[[(1R)-1-(5-chlorothiophen-2-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide is C[C@@H](N[C@H]1CCC(c2ccc(C(=O)NC3CCNCC3)cc2)C1)c1ccc(Cl)s1.
What is the InChIKey of 4-[(3S)-3-[[(1R)-1-(5-chlorothiophen-2-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide?
The InChIKey is RLOUESCDQLAUCV-BIYUGTDDSA-N. The full InChI is InChI=1S/C23H30ClN3OS/c1-15(21-8-9-22(24)29-21)26-20-7-6-18(14-20)16-2-4-17(5-3-16)23(28)27-19-10-12-25-13-11-19/h2-5,8-9,15,18-20,25-26H,6-7,10-14H2,1H3,(H,27,28)/t15-,18?,20+/m1/s1.
What are the key properties of 4-[(3S)-3-[[(1R)-1-(5-chlorothiophen-2-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide?
4-[(3S)-3-[[(1R)-1-(5-chlorothiophen-2-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide has a molecular weight of 432.03 g/mol, XLogP of 4.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-[[(1R)-1-(5-chlorothiophen-2-yl)ethyl]amino]cyclopentyl]-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 91509964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).