N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide

C25H29N3O2S — CID 45179702

IUPACN-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide
SMILESCC(CNC(=O)c1cncs1)Oc1ccc(CN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C25H29N3O2S/c1-19(15-27-25(29)24-16-26-18-31-24)30-23-9-7-20(8-10-23)17-28-13-11-22(12-14-28)21-5-3-2-4-6-21/h2-10,16,18-19,22H,11-15,17H2,1H3,(H,27,29)
InChIKeyIDJADEXKCHNDOE-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.72
Rot. Bonds8

About N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide

N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide (PubChem CID 45179702) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide
PubChem CID45179702
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC NameN-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide
SMILESCC(CNC(=O)c1cncs1)Oc1ccc(CN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C25H29N3O2S/c1-19(15-27-25(29)24-16-26-18-31-24)30-23-9-7-20(8-10-23)17-28-13-11-22(12-14-28)21-5-3-2-4-6-21/h2-10,16,18-19,22H,11-15,17H2,1H3,(H,27,29)
InChIKeyIDJADEXKCHNDOE-UHFFFAOYSA-N
XLogP4.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide
CID 42472395
N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide
CID 42407485
N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide
CID 45173659
(2S)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-1-amine
CID 125173222
N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide
CID 125155019
4-methyl-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]benzamide
CID 118756279
N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide
CID 42166391
N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]cyclohexanecarboxamide
CID 125173346
N-hydroxy-4-[(4-phenylpiperidin-1-yl)methyl]benzamide
CID 163366143
4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 146018012
2-methoxy-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]acetamide
CID 45249485
N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]-4-(trifluoromethyl)benzamide
CID 42168373

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide (CID 45179702) is N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide is CC(CNC(=O)c1cncs1)Oc1ccc(CN2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IDJADEXKCHNDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c1-19(15-27-25(29)24-16-26-18-31-24)30-23-9-7-20(8-10-23)17-28-13-11-22(12-14-28)21-5-3-2-4-6-21/h2-10,16,18-19,22H,11-15,17H2,1H3,(H,27,29).
What are the key properties of N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide?
N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 435.59 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 45179702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).