(1-benzylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone

C17H24N2O — CID 119563003

IUPAC(1-benzylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)C2(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C17H24N2O/c1-18-15-7-11-19(12-8-15)16(20)17(9-10-17)13-14-5-3-2-4-6-14/h2-6,15,18H,7-13H2,1H3
InChIKeyVKRQUMIXZJLAJW-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.22
Rot. Bonds4

About (1-benzylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone

(1-benzylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 119563003) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is (1-benzylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID119563003
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name(1-benzylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)C2(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C17H24N2O/c1-18-15-7-11-19(12-8-15)16(20)17(9-10-17)13-14-5-3-2-4-6-14/h2-6,15,18H,7-13H2,1H3
InChIKeyVKRQUMIXZJLAJW-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylcyclopropyl)methanone;hydrochloride
CID 119519935
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone
CID 119486293
(1-ethylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119564125
(1-benzylcyclopropyl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
CID 136583063
[4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119560283
(1-benzylcyclopropyl)-(3-methylpiperazin-1-yl)methanone
CID 119579725
(4-benzylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 22741766
(4-amino-3-ethylpiperidin-1-yl)-(1-benzylcyclobutyl)methanone;hydrochloride
CID 155820492
(1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996210
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclobutyl)methanone;hydrochloride
CID 119486862
1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
CID 119562932
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562

Frequently Asked Questions

What is the IUPAC name of (1-benzylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (1-benzylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone (CID 119563003) is (1-benzylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (1-benzylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (1-benzylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)C2(Cc3ccccc3)CC2)CC1.
What is the InChIKey of (1-benzylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is VKRQUMIXZJLAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-18-15-7-11-19(12-8-15)16(20)17(9-10-17)13-14-5-3-2-4-6-14/h2-6,15,18H,7-13H2,1H3.
What are the key properties of (1-benzylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone?
(1-benzylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 272.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119563003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).