N-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide

C25H24N4O2 — CID 90560452

IUPACN-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide
SMILESO=C(NCc1cccc2ccccc12)N1CCC(Oc2nncc3ccccc23)CC1
InChIInChI=1S/C25H24N4O2/c30-25(26-16-19-9-5-8-18-6-1-3-10-22(18)19)29-14-12-21(13-15-29)31-24-23-11-4-2-7-20(23)17-27-28-24/h1-11,17,21H,12-16H2,(H,26,30)
InChIKeyWRGMQCZURFEQPK-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.54
Rot. Bonds4

About N-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide

N-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide (PubChem CID 90560452) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide
PubChem CID90560452
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide
SMILESO=C(NCc1cccc2ccccc12)N1CCC(Oc2nncc3ccccc23)CC1
InChIInChI=1S/C25H24N4O2/c30-25(26-16-19-9-5-8-18-6-1-3-10-22(18)19)29-14-12-21(13-15-29)31-24-23-11-4-2-7-20(23)17-27-28-24/h1-11,17,21H,12-16H2,(H,26,30)
InChIKeyWRGMQCZURFEQPK-UHFFFAOYSA-N
XLogP4.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phthalazin-1-yloxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90560454
(3S)-3-[(6-methyl-2-pyridinyl)oxy]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide
CID 129416846
3-cyclohexyl-1-(4-phthalazin-1-yloxypiperidin-1-yl)propan-1-one
CID 90560236
1,2-oxazol-5-yl-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560162
(2,3-dimethoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560263
(2-phenoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 121127202
1-(2-methyl-1H-indol-3-yl)-2-(4-phthalazin-1-yloxypiperidin-1-yl)ethane-1,2-dione
CID 90560341
N-benzyl-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566130
(2-chloro-5-nitrophenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 90560291
N-(naphthalen-1-ylmethyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114507
4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide
CID 121115060
(1S,5S)-N-(naphthalen-1-ylmethyl)-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 98214795

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide (CID 90560452) is N-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide is O=C(NCc1cccc2ccccc12)N1CCC(Oc2nncc3ccccc23)CC1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide?
The InChIKey is WRGMQCZURFEQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c30-25(26-16-19-9-5-8-18-6-1-3-10-22(18)19)29-14-12-21(13-15-29)31-24-23-11-4-2-7-20(23)17-27-28-24/h1-11,17,21H,12-16H2,(H,26,30).
What are the key properties of N-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide?
N-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-4-phthalazin-1-yloxypiperidine-1-carboxamide is sourced from PubChem (CID 90560452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).