[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-phenyloxan-3-yl)methanone

C21H30N2O2 — CID 119622592

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-phenyloxan-3-yl)methanone
SMILESO=C(C1CCCOC1c1ccccc1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C21H30N2O2/c24-21(23-12-10-18(11-13-23)22-15-16-8-9-16)19-7-4-14-25-20(19)17-5-2-1-3-6-17/h1-3,5-6,16,18-20,22H,4,7-15H2
InChIKeyAINYZURATAZPHZ-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.14
Rot. Bonds5

About [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-phenyloxan-3-yl)methanone

[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-phenyloxan-3-yl)methanone (PubChem CID 119622592) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-phenyloxan-3-yl)methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-phenyloxan-3-yl)methanone
PubChem CID119622592
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-phenyloxan-3-yl)methanone
SMILESO=C(C1CCCOC1c1ccccc1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C21H30N2O2/c24-21(23-12-10-18(11-13-23)22-15-16-8-9-16)19-7-4-14-25-20(19)17-5-2-1-3-6-17/h1-3,5-6,16,18-20,22H,4,7-15H2
InChIKeyAINYZURATAZPHZ-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone
CID 62068728
(4-methylpiperazin-1-yl)-(2-phenyloxan-3-yl)methanone
CID 56816540
(2-phenyloxan-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119401034
2-[4-[(2R,3S)-2-phenyloxane-3-carbonyl]piperazin-1-yl]acetamide
CID 94463077
1-[(2S,3S)-2-phenyloxane-3-carbonyl]-1,4-diazepan-5-one
CID 95589815
1-[(2R,3R)-2-(4-methylphenyl)oxane-3-carbonyl]piperidine-4-carboxylic acid
CID 125153754
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dihydro-1H-isochromen-1-yl)methanone
CID 119995078
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2-methylphenyl)cyclopropyl]methanone
CID 119624499
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dihydro-1H-isochromen-1-yl)methanone;hydrochloride
CID 119995077
ethyl 4-[(2-phenyloxolan-3-yl)methylamino]piperidine-1-carboxylate
CID 86769567
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone;hydrochloride
CID 119624456
(3-amino-4-methylpyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone
CID 103575804

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-phenyloxan-3-yl)methanone?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-phenyloxan-3-yl)methanone (CID 119622592) is [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-phenyloxan-3-yl)methanone.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-phenyloxan-3-yl)methanone?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-phenyloxan-3-yl)methanone is O=C(C1CCCOC1c1ccccc1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-phenyloxan-3-yl)methanone?
The InChIKey is AINYZURATAZPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-21(23-12-10-18(11-13-23)22-15-16-8-9-16)19-7-4-14-25-20(19)17-5-2-1-3-6-17/h1-3,5-6,16,18-20,22H,4,7-15H2.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-(2-phenyloxan-3-yl)methanone?
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-phenyloxan-3-yl)methanone has a molecular weight of 342.48 g/mol, XLogP of 3.14, 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]-(2-phenyloxan-3-yl)methanone is sourced from PubChem (CID 119622592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).