[(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C21H32N6O2 — CID 95212920

IUPAC[(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1ncc(C(=O)N2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cn1
InChIInChI=1S/C21H32N6O2/c1-22-21-23-13-17(14-24-21)20(29)26-11-6-18(7-12-26)27-10-4-5-16(15-27)19(28)25-8-2-3-9-25/h13-14,16,18H,2-12,15H2,1H3,(H,22,23,24)/t16-/m1/s1
InChIKeyOPBGXKPSNNHSGK-MRXNPFEDSA-N
MW400.53 g/mol
LogP1.46
Rot. Bonds4

About [(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 95212920) has the molecular formula C21H32N6O2 and a molecular weight of 400.53 g/mol. Its IUPAC name is [(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID95212920
Molecular FormulaC21H32N6O2
Molecular Weight400.53 g/mol
Exact Mass400.26
IUPAC Name[(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1ncc(C(=O)N2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cn1
InChIInChI=1S/C21H32N6O2/c1-22-21-23-13-17(14-24-21)20(29)26-11-6-18(7-12-26)27-10-4-5-16(15-27)19(28)25-8-2-3-9-25/h13-14,16,18H,2-12,15H2,1H3,(H,22,23,24)/t16-/m1/s1
InChIKeyOPBGXKPSNNHSGK-MRXNPFEDSA-N
XLogP1.46
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[1-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56866262
[4-(dimethylamino)azepan-1-yl]-[2-(methylamino)pyrimidin-5-yl]methanone
CID 56882588
(3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95445088
pyrrolidin-1-yl-[(3R)-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95551648
[(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 96580317
[(3S)-1-[1-(4-chloro-1-methylpyrazole-5-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95551148
2-(methylamino)-1-[4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 70742658
[(3R)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95552563
(3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95415295
[(3S)-1-[1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95552562
[1-[1-(4-chloro-1-methylpyrazole-3-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56864360
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]methanone
CID 95726966

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 95212920) is [(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is CNc1ncc(C(=O)N2CCC(N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cn1.
What is the InChIKey of [(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is OPBGXKPSNNHSGK-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H32N6O2/c1-22-21-23-13-17(14-24-21)20(29)26-11-6-18(7-12-26)27-10-4-5-16(15-27)19(28)25-8-2-3-9-25/h13-14,16,18H,2-12,15H2,1H3,(H,22,23,24)/t16-/m1/s1.
What are the key properties of [(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 400.53 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 95212920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).