N-benzyl-1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxamide

C21H28N2O3S — CID 32603232

IUPACN-benzyl-1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C[C@H](O)COCc2cccs2)CC1
InChIInChI=1S/C21H28N2O3S/c24-19(15-26-16-20-7-4-12-27-20)14-23-10-8-18(9-11-23)21(25)22-13-17-5-2-1-3-6-17/h1-7,12,18-19,24H,8-11,13-16H2,(H,22,25)/t19-/m0/s1
InChIKeyUTQMCFTYEBXKHV-IBGZPJMESA-N
MW388.53 g/mol
LogP2.65
Rot. Bonds9

About N-benzyl-1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxamide

N-benzyl-1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxamide (PubChem CID 32603232) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-benzyl-1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxamide
PubChem CID32603232
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-benzyl-1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C[C@H](O)COCc2cccs2)CC1
InChIInChI=1S/C21H28N2O3S/c24-19(15-26-16-20-7-4-12-27-20)14-23-10-8-18(9-11-23)21(25)22-13-17-5-2-1-3-6-17/h1-7,12,18-19,24H,8-11,13-16H2,(H,22,25)/t19-/m0/s1
InChIKeyUTQMCFTYEBXKHV-IBGZPJMESA-N
XLogP2.65
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 32603172
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CID 2381133
1-(4-methoxypiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110882492
1-(4-cyclopropylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110908448
N-benzyl-1-[2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-4-carboxamide
CID 24534494
(2R)-1-morpholin-4-yl-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2359827
furan-2-yl-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]methanone
CID 2359522
1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56802833
1-[1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidin-4-yl]imidazolidin-2-one
CID 95329642
2-[4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 30738692
1-[4-[3-(diethylamino)propyl]piperidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 75453728
3-[1-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxamide (CID 32603232) is N-benzyl-1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(C[C@H](O)COCc2cccs2)CC1.
What is the InChIKey of N-benzyl-1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxamide?
The InChIKey is UTQMCFTYEBXKHV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28N2O3S/c24-19(15-26-16-20-7-4-12-27-20)14-23-10-8-18(9-11-23)21(25)22-13-17-5-2-1-3-6-17/h1-7,12,18-19,24H,8-11,13-16H2,(H,22,25)/t19-/m0/s1.
What are the key properties of N-benzyl-1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxamide?
N-benzyl-1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxamide has a molecular weight of 388.53 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 32603232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).