3-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide

C26H38N4O2 — CID 42511683

IUPAC3-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)CC[C@@H]2CCCN(Cc3cn[nH]c3C3CCCCC3)C2)c1
InChIInChI=1S/C26H38N4O2/c1-32-24-11-5-7-21(15-24)16-27-25(31)13-12-20-8-6-14-30(18-20)19-23-17-28-29-26(23)22-9-3-2-4-10-22/h5,7,11,15,17,20,22H,2-4,6,8-10,12-14,16,18-19H2,1H3,(H,27,31)(H,28,29)/t20-/m0/s1
InChIKeyWREKVYRPJYSWGD-FQEVSTJZSA-N
MW438.62 g/mol
LogP4.77
Rot. Bonds9

About 3-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide

3-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide (PubChem CID 42511683) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is 3-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide
PubChem CID42511683
Molecular FormulaC26H38N4O2
Molecular Weight438.62 g/mol
Exact Mass438.30
IUPAC Name3-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)CC[C@@H]2CCCN(Cc3cn[nH]c3C3CCCCC3)C2)c1
InChIInChI=1S/C26H38N4O2/c1-32-24-11-5-7-21(15-24)16-27-25(31)13-12-20-8-6-14-30(18-20)19-23-17-28-29-26(23)22-9-3-2-4-10-22/h5,7,11,15,17,20,22H,2-4,6,8-10,12-14,16,18-19H2,1H3,(H,27,31)(H,28,29)/t20-/m0/s1
InChIKeyWREKVYRPJYSWGD-FQEVSTJZSA-N
XLogP4.77
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 45250387
3-[(3R)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 26412386
N-[(3-methoxyphenyl)methyl]-3-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 45221235
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide
CID 97276292
N-[(3-methoxyphenyl)methyl]-3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 45218064
N-[(3-methoxyphenyl)methyl]-3-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]propanamide
CID 97282425
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(1H-indol-3-ylmethyl)piperidin-3-yl]propanamide
CID 45218347
N-cyclopropyl-3-[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide
CID 42514353
ethyl 2-[[3-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carbonyl]amino]acetate
CID 45180239
3-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 45211190
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide
CID 42515116
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]propanamide
CID 45211158

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide (CID 42511683) is 3-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide is COc1cccc(CNC(=O)CC[C@@H]2CCCN(Cc3cn[nH]c3C3CCCCC3)C2)c1.
What is the InChIKey of 3-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide?
The InChIKey is WREKVYRPJYSWGD-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H38N4O2/c1-32-24-11-5-7-21(15-24)16-27-25(31)13-12-20-8-6-14-30(18-20)19-23-17-28-29-26(23)22-9-3-2-4-10-22/h5,7,11,15,17,20,22H,2-4,6,8-10,12-14,16,18-19H2,1H3,(H,27,31)(H,28,29)/t20-/m0/s1.
What are the key properties of 3-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide?
3-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide has a molecular weight of 438.62 g/mol, XLogP of 4.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 42511683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).