1-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide

C20H32N6O — CID 133422017

IUPAC1-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCC1CCCN(c2cc(N3CCC(N4CCCC4C(N)=O)CC3)ncn2)C1
InChIInChI=1S/C20H32N6O/c1-15-4-2-8-25(13-15)19-12-18(22-14-23-19)24-10-6-16(7-11-24)26-9-3-5-17(26)20(21)27/h12,14-17H,2-11,13H2,1H3,(H2,21,27)
InChIKeyKREIYTDYFGKLQJ-UHFFFAOYSA-N
MW372.52 g/mol
LogP1.63
Rot. Bonds4

About 1-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide

1-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 133422017) has the molecular formula C20H32N6O and a molecular weight of 372.52 g/mol. Its IUPAC name is 1-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID133422017
Molecular FormulaC20H32N6O
Molecular Weight372.52 g/mol
Exact Mass372.26
IUPAC Name1-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCC1CCCN(c2cc(N3CCC(N4CCCC4C(N)=O)CC3)ncn2)C1
InChIInChI=1S/C20H32N6O/c1-15-4-2-8-25(13-15)19-12-18(22-14-23-19)24-10-6-16(7-11-24)26-9-3-5-17(26)20(21)27/h12,14-17H,2-11,13H2,1H3,(H2,21,27)
InChIKeyKREIYTDYFGKLQJ-UHFFFAOYSA-N
XLogP1.63
TPSA78.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444237
(2R)-2-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 129374202
ethyl 2-[4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-1,4-diazepan-1-yl]acetate
CID 133346435
(4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109342388
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine
CID 112863132
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
6-(3-methylpyrrolidin-1-yl)pyrimidin-4-amine
CID 78929973
(2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94074788
5-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 122106917
4-(3-methylpiperidin-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine
CID 133453244
6-(3-methylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340461
4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine
CID 127303052

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide (CID 133422017) is 1-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide is CC1CCCN(c2cc(N3CCC(N4CCCC4C(N)=O)CC3)ncn2)C1.
What is the InChIKey of 1-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is KREIYTDYFGKLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O/c1-15-4-2-8-25(13-15)19-12-18(22-14-23-19)24-10-6-16(7-11-24)26-9-3-5-17(26)20(21)27/h12,14-17H,2-11,13H2,1H3,(H2,21,27).
What are the key properties of 1-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide?
1-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 372.52 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 133422017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).