N-[(S)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide

C25H33N3O2S — CID 92569528

IUPACN-[(S)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide
SMILESO=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1)C1CC1
InChIInChI=1S/C25H33N3O2S/c29-24(19-10-11-19)27-23(25-26-12-14-31-25)20-6-4-13-28(17-20)16-18-5-3-9-22(15-18)30-21-7-1-2-8-21/h3,5,9,12,14-15,19-21,23H,1-2,4,6-8,10-11,13,16-17H2,(H,27,29)/t20-,23+/m1/s1
InChIKeyYXLJGEURENODKU-OFNKIYASSA-N
MW439.63 g/mol
LogP4.94
Rot. Bonds8

About N-[(S)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide

N-[(S)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide (PubChem CID 92569528) has the molecular formula C25H33N3O2S and a molecular weight of 439.63 g/mol. Its IUPAC name is N-[(S)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(S)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide
PubChem CID92569528
Molecular FormulaC25H33N3O2S
Molecular Weight439.63 g/mol
Exact Mass439.23
IUPAC NameN-[(S)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide
SMILESO=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1)C1CC1
InChIInChI=1S/C25H33N3O2S/c29-24(19-10-11-19)27-23(25-26-12-14-31-25)20-6-4-13-28(17-20)16-18-5-3-9-22(15-18)30-21-7-1-2-8-21/h3,5,9,12,14-15,19-21,23H,1-2,4,6-8,10-11,13,16-17H2,(H,27,29)/t20-,23+/m1/s1
InChIKeyYXLJGEURENODKU-OFNKIYASSA-N
XLogP4.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.63
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide
CID 110215598
N-[(R)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 92577230
N-[[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide
CID 110215595
N-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215583
N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215566
N-[(S)-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide
CID 92574131
N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 154793860
N-[[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide;hydrochloride
CID 171667022
N-[(S)-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 93239140
N-[(S)-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]-2-methylpropanamide
CID 95802183
N-[[1-(quinolin-8-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215571
N-[(S)-[(3S)-1-[(6-methoxynaphthalen-2-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclobutanecarboxamide
CID 95795545

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(S)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide (CID 92569528) is N-[(S)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(S)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(S)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide is O=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1)C1CC1.
What is the InChIKey of N-[(S)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide?
The InChIKey is YXLJGEURENODKU-OFNKIYASSA-N. The full InChI is InChI=1S/C25H33N3O2S/c29-24(19-10-11-19)27-23(25-26-12-14-31-25)20-6-4-13-28(17-20)16-18-5-3-9-22(15-18)30-21-7-1-2-8-21/h3,5,9,12,14-15,19-21,23H,1-2,4,6-8,10-11,13,16-17H2,(H,27,29)/t20-,23+/m1/s1.
What are the key properties of N-[(S)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide?
N-[(S)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide has a molecular weight of 439.63 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 92569528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).