1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one

C21H32N2O2 — CID 119621899

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one
SMILESCOc1ccccc1CC(C)CC(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C21H32N2O2/c1-16(13-18-5-3-4-6-20(18)25-2)14-21(24)23-11-9-19(10-12-23)22-15-17-7-8-17/h3-6,16-17,19,22H,7-15H2,1-2H3
InChIKeyUTBOKYPUPORQCE-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.25
Rot. Bonds8

About 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one (PubChem CID 119621899) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one
PubChem CID119621899
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one
SMILESCOc1ccccc1CC(C)CC(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C21H32N2O2/c1-16(13-18-5-3-4-6-20(18)25-2)14-21(24)23-11-9-19(10-12-23)22-15-17-7-8-17/h3-6,16-17,19,22H,7-15H2,1-2H3
InChIKeyUTBOKYPUPORQCE-UHFFFAOYSA-N
XLogP3.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-4-(2-methoxyphenyl)-3-methylbutanoyl]piperidine-4-carboxylic acid
CID 129414877
(3R)-1-[(3R)-3-aminopyrrolidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one
CID 124686287
(3S)-4-(2-methoxyphenyl)-3-methyl-1-[(3S)-3-(methylamino)piperidin-1-yl]butan-1-one
CID 124574688
(3R)-4-(2-methoxyphenyl)-1-[(3R)-3-methoxypiperidin-1-yl]-3-methylbutan-1-one
CID 95615452
1-[4-(3-aminopropoxy)piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one
CID 119661795
4-(2-methoxyphenyl)-3-methyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]butan-1-one
CID 119648867
1-[4-[2-(2-methoxyphenyl)ethylamino]piperidin-1-yl]ethanone
CID 23768743
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 119312121
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride
CID 119624500
N-(4-aminocyclohexyl)-4-(2-methoxyphenyl)-3-methylbutanamide
CID 119474760
4-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(3-fluorophenyl)-2-methylbutane-1,4-dione;hydrochloride
CID 119622521
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one;hydrochloride
CID 119622481

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one (CID 119621899) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one is COc1ccccc1CC(C)CC(=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one?
The InChIKey is UTBOKYPUPORQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-16(13-18-5-3-4-6-20(18)25-2)14-21(24)23-11-9-19(10-12-23)22-15-17-7-8-17/h3-6,16-17,19,22H,7-15H2,1-2H3.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one has a molecular weight of 344.50 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-(2-methoxyphenyl)-3-methylbutan-1-one is sourced from PubChem (CID 119621899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).