N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide

C26H30N2O2S — CID 42472395

IUPACN-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide
SMILESC[C@H](CNC(=O)c1cccs1)Oc1ccc(CN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C26H30N2O2S/c1-20(18-27-26(29)25-8-5-17-31-25)30-24-11-9-21(10-12-24)19-28-15-13-23(14-16-28)22-6-3-2-4-7-22/h2-12,17,20,23H,13-16,18-19H2,1H3,(H,27,29)/t20-/m1/s1
InChIKeyBMEZXGRCYRSANH-HXUWFJFHSA-N
MW434.61 g/mol
LogP5.32
Rot. Bonds8

About N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide

N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide (PubChem CID 42472395) has the molecular formula C26H30N2O2S and a molecular weight of 434.61 g/mol. Its IUPAC name is N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide
PubChem CID42472395
Molecular FormulaC26H30N2O2S
Molecular Weight434.61 g/mol
Exact Mass434.20
IUPAC NameN-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide
SMILESC[C@H](CNC(=O)c1cccs1)Oc1ccc(CN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C26H30N2O2S/c1-20(18-27-26(29)25-8-5-17-31-25)30-24-11-9-21(10-12-24)19-28-15-13-23(14-16-28)22-6-3-2-4-7-22/h2-12,17,20,23H,13-16,18-19H2,1H3,(H,27,29)/t20-/m1/s1
InChIKeyBMEZXGRCYRSANH-HXUWFJFHSA-N
XLogP5.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.61
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide
CID 45179702
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
N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide
CID 125155019
(2S)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-1-amine
CID 125173222
N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55484698
N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]acetamide
CID 42166391
N-[(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propyl]-4-(trifluoromethyl)benzamide
CID 42168373
N-hydroxy-4-[(4-phenylpiperidin-1-yl)methyl]benzamide
CID 163366143
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 18117454
4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 146018012
N-[3-[[[(1-benzylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]propyl]thiophene-2-carboxamide
CID 110986618

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide (CID 42472395) is N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide is C[C@H](CNC(=O)c1cccs1)Oc1ccc(CN2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide?
The InChIKey is BMEZXGRCYRSANH-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H30N2O2S/c1-20(18-27-26(29)25-8-5-17-31-25)30-24-11-9-21(10-12-24)19-28-15-13-23(14-16-28)22-6-3-2-4-7-22/h2-12,17,20,23H,13-16,18-19H2,1H3,(H,27,29)/t20-/m1/s1.
What are the key properties of N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide?
N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide has a molecular weight of 434.61 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 42472395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).