5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine

C20H33N5 — CID 70744725

IUPAC5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
SMILESc1nc(N2CCCC2)ncc1CN1CCCC(CN2CCCCC2)C1
InChIInChI=1S/C20H33N5/c1-2-8-23(9-3-1)15-18-7-6-10-24(16-18)17-19-13-21-20(22-14-19)25-11-4-5-12-25/h13-14,18H,1-12,15-17H2
InChIKeySEUUOJBAQYKDNG-UHFFFAOYSA-N
MW343.52 g/mol
LogP2.77
Rot. Bonds5

About 5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine

5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine (PubChem CID 70744725) has the molecular formula C20H33N5 and a molecular weight of 343.52 g/mol. Its IUPAC name is 5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
PubChem CID70744725
Molecular FormulaC20H33N5
Molecular Weight343.52 g/mol
Exact Mass343.27
IUPAC Name5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
SMILESc1nc(N2CCCC2)ncc1CN1CCCC(CN2CCCCC2)C1
InChIInChI=1S/C20H33N5/c1-2-8-23(9-3-1)15-18-7-6-10-24(16-18)17-19-13-21-20(22-14-19)25-11-4-5-12-25/h13-14,18H,1-12,15-17H2
InChIKeySEUUOJBAQYKDNG-UHFFFAOYSA-N
XLogP2.77
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(Cyclobutylmethyl)-2-[(2-methyl-5-pyrimidinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 45193840
7-(Cyclobutylmethyl)-2-[(2-methoxy-5-pyrimidinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 45229858
9-(Cyclohexylmethyl)-2-[(2-methoxypyrimidin-5-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 45239115
7-(Cyclobutylmethyl)-2-[(2-ethyl-5-pyrimidinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 45252850
N-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
CID 51594519
5-(2,8-diazaspiro[4.5]dec-2-ylmethyl)-N,N-dimethylpyrimidin-2-amine
CID 56712809
N-(3-methoxypropyl)-1-methyl-N-{[2-(1-pyrrolidinyl)-5-pyrimidinyl]methyl}-4-piperidinamine
CID 70769900
2-Methyl-8-(5-methylpyrimidin-2-YL)-2,8-diazaspiro[5.5]undecane
CID 72936007
(3aS,7aS)-5-(cyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 97402618
1-[(2S,3aR,7aS)-1-methyl-5-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-2-yl]-N,N-dimethylmethanamine
CID 97460070
(3aR,7aS)-5-(cyclopropylmethyl)-2-(5-methylpyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 97510969
9-(5-Fluoropyrimidin-2-yl)-2-(5-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 118739503

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine (CID 70744725) is 5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine is c1nc(N2CCCC2)ncc1CN1CCCC(CN2CCCCC2)C1.
What is the InChIKey of 5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
The InChIKey is SEUUOJBAQYKDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5/c1-2-8-23(9-3-1)15-18-7-6-10-24(16-18)17-19-13-21-20(22-14-19)25-11-4-5-12-25/h13-14,18H,1-12,15-17H2.
What are the key properties of 5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine?
5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine has a molecular weight of 343.52 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(piperidin-1-ylmethyl)piperidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 70744725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).