[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone

C22H35N5O — CID 46957859

IUPAC[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
SMILESCC1CCCN(c2ncc(C(=O)N3CCCCC3CCN3CCCC3)cn2)C1
InChIInChI=1S/C22H35N5O/c1-18-7-6-12-26(17-18)22-23-15-19(16-24-22)21(28)27-13-3-2-8-20(27)9-14-25-10-4-5-11-25/h15-16,18,20H,2-14,17H2,1H3
InChIKeyJHMKJBGGBXUTQE-UHFFFAOYSA-N
MW385.56 g/mol
LogP3.19
Rot. Bonds5

About [2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone

[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 46957859) has the molecular formula C22H35N5O and a molecular weight of 385.56 g/mol. Its IUPAC name is [2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
PubChem CID46957859
Molecular FormulaC22H35N5O
Molecular Weight385.56 g/mol
Exact Mass385.28
IUPAC Name[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
SMILESCC1CCCN(c2ncc(C(=O)N3CCCCC3CCN3CCCC3)cn2)C1
InChIInChI=1S/C22H35N5O/c1-18-7-6-12-26(17-18)22-23-15-19(16-24-22)21(28)27-13-3-2-8-20(27)9-14-25-10-4-5-11-25/h15-16,18,20H,2-14,17H2,1H3
InChIKeyJHMKJBGGBXUTQE-UHFFFAOYSA-N
XLogP3.19
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-ethylpyrimidin-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97121729
pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 95111669
[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
CID 20959362
phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348343
[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 29348390
(2-ethylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109196164
3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109259645
phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984889
phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776058
(2-ethyl-4-pyridinyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 97123855
N,N-diethyl-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109262348
(3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 53193381

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone (CID 46957859) is [2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone is CC1CCCN(c2ncc(C(=O)N3CCCCC3CCN3CCCC3)cn2)C1.
What is the InChIKey of [2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is JHMKJBGGBXUTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O/c1-18-7-6-12-26(17-18)22-23-15-19(16-24-22)21(28)27-13-3-2-8-20(27)9-14-25-10-4-5-11-25/h15-16,18,20H,2-14,17H2,1H3.
What are the key properties of [2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone?
[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 385.56 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 46957859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).