[4-(cyclopentylmethyl)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone

C25H39N5O2 — CID 155544620

IUPAC[4-(cyclopentylmethyl)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCC(CC2CCCC2)CC1
InChIInChI=1S/C25H39N5O2/c31-25(30-9-5-21(6-10-30)17-20-3-1-2-4-20)22-7-11-28(12-8-22)23-18-24(27-19-26-23)29-13-15-32-16-14-29/h18-22H,1-17H2
InChIKeyYTUBVUQJYKQREE-UHFFFAOYSA-N
MW441.62 g/mol
LogP3.35
Rot. Bonds5

About [4-(cyclopentylmethyl)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone

[4-(cyclopentylmethyl)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone (PubChem CID 155544620) has the molecular formula C25H39N5O2 and a molecular weight of 441.62 g/mol. Its IUPAC name is [4-(cyclopentylmethyl)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(cyclopentylmethyl)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
PubChem CID155544620
Molecular FormulaC25H39N5O2
Molecular Weight441.62 g/mol
Exact Mass441.31
IUPAC Name[4-(cyclopentylmethyl)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCC(CC2CCCC2)CC1
InChIInChI=1S/C25H39N5O2/c31-25(30-9-5-21(6-10-30)17-20-3-1-2-4-20)22-7-11-28(12-8-22)23-18-24(27-19-26-23)29-13-15-32-16-14-29/h18-22H,1-17H2
InChIKeyYTUBVUQJYKQREE-UHFFFAOYSA-N
XLogP3.35
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(cyclopentylmethyl)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone with MolForge

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Related Compounds

(4-Methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 53170408
[1-(6-Morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155514035
(4-Ethylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 155561320
(4-Methylpiperidin-1-yl)-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 155563468
Piperidino[1-(6-piperidino-4-pyrimidinyl)-4-piperidyl]methanone
CID 53170406
[4-[2-(Diethylamino)ethyl]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 155511284
[1-(6-Morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 155517549
(3-Methylpiperidino)[1-(6-piperidino-4-pyrimidinyl)-4-piperidyl]methanone
CID 53170407
1'-{[1-(6-Piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]carbonyl}-1,4'-bipiperidine
CID 53170409
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 53170410
Ethyl 1-{1-[6-(piperidin-1-YL)pyrimidin-4-YL]piperidine-4-carbonyl}piperidine-3-carboxylate
CID 53170411
1,4-Dioxa-8-azaspiro[4.5]dec-8-YL[1-(6-morpholino-4-pyrimidinyl)-4-piperidyl]methanone
CID 53170415

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylmethyl)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of [4-(cyclopentylmethyl)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone (CID 155544620) is [4-(cyclopentylmethyl)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(cyclopentylmethyl)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(cyclopentylmethyl)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCC(CC2CCCC2)CC1.
What is the InChIKey of [4-(cyclopentylmethyl)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is YTUBVUQJYKQREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N5O2/c31-25(30-9-5-21(6-10-30)17-20-3-1-2-4-20)22-7-11-28(12-8-22)23-18-24(27-19-26-23)29-13-15-32-16-14-29/h18-22H,1-17H2.
What are the key properties of [4-(cyclopentylmethyl)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone?
[4-(cyclopentylmethyl)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 441.62 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylmethyl)piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 155544620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).