[4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone

C18H25N3O2 — CID 138380400

IUPAC[4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(N2CCCC2C2(O)CC2)CC1
InChIInChI=1S/C18H25N3O2/c22-17(14-3-1-9-19-13-14)20-11-5-15(6-12-20)21-10-2-4-16(21)18(23)7-8-18/h1,3,9,13,15-16,23H,2,4-8,10-12H2
InChIKeyXPVOWIUQORGVHP-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.68
Rot. Bonds3

About [4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone

[4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 138380400) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is [4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID138380400
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name[4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(N2CCCC2C2(O)CC2)CC1
InChIInChI=1S/C18H25N3O2/c22-17(14-3-1-9-19-13-14)20-11-5-15(6-12-20)21-10-2-4-16(21)18(23)7-8-18/h1,3,9,13,15-16,23H,2,4-8,10-12H2
InChIKeyXPVOWIUQORGVHP-UHFFFAOYSA-N
XLogP1.68
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
[3-(chloromethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 63392979
[4-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 72924697
[4-[(cyclopropylamino)methyl]-4-hydroxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 39374438
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 112537616
1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
CID 54794112
(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115875110
3-methoxy-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one
CID 91925525
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 90521312
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081

Frequently Asked Questions

What is the IUPAC name of [4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 138380400) is [4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC(N2CCCC2C2(O)CC2)CC1.
What is the InChIKey of [4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is XPVOWIUQORGVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17(14-3-1-9-19-13-14)20-11-5-15(6-12-20)21-10-2-4-16(21)18(23)7-8-18/h1,3,9,13,15-16,23H,2,4-8,10-12H2.
What are the key properties of [4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 315.42 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 138380400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).