[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone

C22H32N2O2 — CID 119623001

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone
SMILESCc1ccc(C2(C(=O)N3CCC(NCC4CC4)CC3)CCOCC2)cc1
InChIInChI=1S/C22H32N2O2/c1-17-2-6-19(7-3-17)22(10-14-26-15-11-22)21(25)24-12-8-20(9-13-24)23-16-18-4-5-18/h2-3,6-7,18,20,23H,4-5,8-16H2,1H3
InChIKeyNJAIOZOUUPOIPH-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.03
Rot. Bonds5

About [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone

[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone (PubChem CID 119623001) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone
PubChem CID119623001
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone
SMILESCc1ccc(C2(C(=O)N3CCC(NCC4CC4)CC3)CCOCC2)cc1
InChIInChI=1S/C22H32N2O2/c1-17-2-6-19(7-3-17)22(10-14-26-15-11-22)21(25)24-12-8-20(9-13-24)23-16-18-4-5-18/h2-3,6-7,18,20,23H,4-5,8-16H2,1H3
InChIKeyNJAIOZOUUPOIPH-UHFFFAOYSA-N
XLogP3.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone with MolForge

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone
CID 119622558
(3,5-dimethylpiperidin-1-yl)-[4-(4-methylphenyl)oxan-4-yl]methanone
CID 75537654
2-[1-[4-(4-methylphenyl)oxane-4-carbonyl]piperidin-4-yl]-N-quinoxalin-6-ylacetamide
CID 129454791
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 119622236
2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 122080822
[1-(4-methylphenyl)cyclobutyl]-[4-(3-pyrrolidin-1-ylpropyl)piperidin-1-yl]methanone
CID 146076594
[1-(4-fluorophenyl)cyclopentyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546090
[4-(3-chlorophenyl)oxan-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563572
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
CID 119621878
[1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone
CID 146883856
cis-(1R,3S)-3-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677486
[(3R)-3-aminopyrrolidin-1-yl]-[4-(4-fluorophenyl)oxan-4-yl]methanone;hydrochloride
CID 119409516

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone (CID 119623001) is [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone is Cc1ccc(C2(C(=O)N3CCC(NCC4CC4)CC3)CCOCC2)cc1.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone?
The InChIKey is NJAIOZOUUPOIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-17-2-6-19(7-3-17)22(10-14-26-15-11-22)21(25)24-12-8-20(9-13-24)23-16-18-4-5-18/h2-3,6-7,18,20,23H,4-5,8-16H2,1H3.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone?
[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone has a molecular weight of 356.51 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone is sourced from PubChem (CID 119623001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).