N-[4-(1-tert-butylpiperidin-4-yl)oxyphenyl]-1-pyridin-3-ylazetidine-3-carboxamide

C24H32N4O2 — CID 90012220

IUPACN-[4-(1-tert-butylpiperidin-4-yl)oxyphenyl]-1-pyridin-3-ylazetidine-3-carboxamide
SMILESCC(C)(C)N1CCC(Oc2ccc(NC(=O)C3CN(c4cccnc4)C3)cc2)CC1
InChIInChI=1S/C24H32N4O2/c1-24(2,3)28-13-10-22(11-14-28)30-21-8-6-19(7-9-21)26-23(29)18-16-27(17-18)20-5-4-12-25-15-20/h4-9,12,15,18,22H,10-11,13-14,16-17H2,1-3H3,(H,26,29)
InChIKeyMYWHFMGNQJXZAH-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.80
Rot. Bonds5

About N-[4-(1-tert-butylpiperidin-4-yl)oxyphenyl]-1-pyridin-3-ylazetidine-3-carboxamide

N-[4-(1-tert-butylpiperidin-4-yl)oxyphenyl]-1-pyridin-3-ylazetidine-3-carboxamide (PubChem CID 90012220) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[4-(1-tert-butylpiperidin-4-yl)oxyphenyl]-1-pyridin-3-ylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-tert-butylpiperidin-4-yl)oxyphenyl]-1-pyridin-3-ylazetidine-3-carboxamide
PubChem CID90012220
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-[4-(1-tert-butylpiperidin-4-yl)oxyphenyl]-1-pyridin-3-ylazetidine-3-carboxamide
SMILESCC(C)(C)N1CCC(Oc2ccc(NC(=O)C3CN(c4cccnc4)C3)cc2)CC1
InChIInChI=1S/C24H32N4O2/c1-24(2,3)28-13-10-22(11-14-28)30-21-8-6-19(7-9-21)26-23(29)18-16-27(17-18)20-5-4-12-25-15-20/h4-9,12,15,18,22H,10-11,13-14,16-17H2,1-3H3,(H,26,29)
InChIKeyMYWHFMGNQJXZAH-UHFFFAOYSA-N
XLogP3.80
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]oxyphenyl]-1-pyridin-3-ylpyrrolidine-3-carboxamide
CID 140621510
N-[4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxyphenyl]-1-pyridin-3-ylpyrrolidine-3-carboxamide
CID 90013117
N-[4-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]oxyphenyl]-1-pyridin-3-ylpyrrolidine-3-carboxamide
CID 90012960
N-(4-methoxyphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide
CID 53004626
1-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 51063831
N-(4-pyridin-3-yloxyphenyl)cyclopentanecarboxamide
CID 154837757
N-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113007512
tert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate
CID 21334263
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569
2-[2-oxo-5-[[(3S)-1-pyridin-3-ylpiperidine-3-carbonyl]amino]-1-pyridinyl]acetic acid
CID 169213851
cis-(1S,2R)-2-N-tert-butyl-1-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclohexane-1,2-dicarboxamide
CID 131920797
3-[4-[4-[(3S)-3-ethyl-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenoxy]piperidin-1-yl]pyridine
CID 144629859

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-tert-butylpiperidin-4-yl)oxyphenyl]-1-pyridin-3-ylazetidine-3-carboxamide?
The IUPAC name of N-[4-(1-tert-butylpiperidin-4-yl)oxyphenyl]-1-pyridin-3-ylazetidine-3-carboxamide (CID 90012220) is N-[4-(1-tert-butylpiperidin-4-yl)oxyphenyl]-1-pyridin-3-ylazetidine-3-carboxamide.
What is the SMILES notation for N-[4-(1-tert-butylpiperidin-4-yl)oxyphenyl]-1-pyridin-3-ylazetidine-3-carboxamide?
The canonical SMILES for N-[4-(1-tert-butylpiperidin-4-yl)oxyphenyl]-1-pyridin-3-ylazetidine-3-carboxamide is CC(C)(C)N1CCC(Oc2ccc(NC(=O)C3CN(c4cccnc4)C3)cc2)CC1.
What is the InChIKey of N-[4-(1-tert-butylpiperidin-4-yl)oxyphenyl]-1-pyridin-3-ylazetidine-3-carboxamide?
The InChIKey is MYWHFMGNQJXZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-24(2,3)28-13-10-22(11-14-28)30-21-8-6-19(7-9-21)26-23(29)18-16-27(17-18)20-5-4-12-25-15-20/h4-9,12,15,18,22H,10-11,13-14,16-17H2,1-3H3,(H,26,29).
What are the key properties of N-[4-(1-tert-butylpiperidin-4-yl)oxyphenyl]-1-pyridin-3-ylazetidine-3-carboxamide?
N-[4-(1-tert-butylpiperidin-4-yl)oxyphenyl]-1-pyridin-3-ylazetidine-3-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-tert-butylpiperidin-4-yl)oxyphenyl]-1-pyridin-3-ylazetidine-3-carboxamide is sourced from PubChem (CID 90012220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).