N-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-6-phenylhexanamide

C32H42N4O2 — CID 169094668

IUPACN-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-6-phenylhexanamide
SMILESO=C(CCCCCc1ccccc1)NCC1CCN(c2ccc(-c3cnn(C4CCCCO4)c3)cc2)CC1
InChIInChI=1S/C32H42N4O2/c37-31(12-6-2-5-11-26-9-3-1-4-10-26)33-23-27-18-20-35(21-19-27)30-16-14-28(15-17-30)29-24-34-36(25-29)32-13-7-8-22-38-32/h1,3-4,9-10,14-17,24-25,27,32H,2,5-8,11-13,18-23H2,(H,33,37)
InChIKeyXHBTWTLZLDTTCU-UHFFFAOYSA-N
MW514.71 g/mol
LogP6.38
Rot. Bonds11

About N-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-6-phenylhexanamide

N-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-6-phenylhexanamide (PubChem CID 169094668) has the molecular formula C32H42N4O2 and a molecular weight of 514.71 g/mol. Its IUPAC name is N-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-6-phenylhexanamide.

Molecular Properties

Compound NameN-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-6-phenylhexanamide
PubChem CID169094668
Molecular FormulaC32H42N4O2
Molecular Weight514.71 g/mol
Exact Mass514.33
IUPAC NameN-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-6-phenylhexanamide
SMILESO=C(CCCCCc1ccccc1)NCC1CCN(c2ccc(-c3cnn(C4CCCCO4)c3)cc2)CC1
InChIInChI=1S/C32H42N4O2/c37-31(12-6-2-5-11-26-9-3-1-4-10-26)33-23-27-18-20-35(21-19-27)30-16-14-28(15-17-30)29-24-34-36(25-29)32-13-7-8-22-38-32/h1,3-4,9-10,14-17,24-25,27,32H,2,5-8,11-13,18-23H2,(H,33,37)
InChIKeyXHBTWTLZLDTTCU-UHFFFAOYSA-N
XLogP6.38
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.71
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl carbamate
CID 175453155
2-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-3,4-dihydroisoquinolin-1-one
CID 169094842
N-(4-fluorophenyl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide
CID 169094730
benzyl 3-[[5-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 118354912
N-(1-benzofuran-5-yl)-1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidine-4-carboxamide
CID 169094772
2-[2-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]ethanol
CID 166638783
1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 86263594
benzyl N-[4-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]but-3-ynyl]carbamate
CID 170463279
4-phenyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]butanamide
CID 60521527
N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426
4-[1-(oxan-2-yl)pyrazol-4-yl]phthalaldehyde
CID 162696460
3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine
CID 167978748

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-6-phenylhexanamide?
The IUPAC name of N-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-6-phenylhexanamide (CID 169094668) is N-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-6-phenylhexanamide.
What is the SMILES notation for N-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-6-phenylhexanamide?
The canonical SMILES for N-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-6-phenylhexanamide is O=C(CCCCCc1ccccc1)NCC1CCN(c2ccc(-c3cnn(C4CCCCO4)c3)cc2)CC1.
What is the InChIKey of N-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-6-phenylhexanamide?
The InChIKey is XHBTWTLZLDTTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N4O2/c37-31(12-6-2-5-11-26-9-3-1-4-10-26)33-23-27-18-20-35(21-19-27)30-16-14-28(15-17-30)29-24-34-36(25-29)32-13-7-8-22-38-32/h1,3-4,9-10,14-17,24-25,27,32H,2,5-8,11-13,18-23H2,(H,33,37).
What are the key properties of N-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-6-phenylhexanamide?
N-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-6-phenylhexanamide has a molecular weight of 514.71 g/mol, XLogP of 6.38, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methyl]-6-phenylhexanamide is sourced from PubChem (CID 169094668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).