4-[2-[(3R)-piperidin-3-yl]ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C18H29N5 — CID 92548269

IUPAC4-[2-[(3R)-piperidin-3-yl]ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESC1CNC[C@@H](CCc2nc(N3CCCC3)nc3c2CNCC3)C1
InChIInChI=1S/C18H29N5/c1-2-11-23(10-1)18-21-16(6-5-14-4-3-8-19-12-14)15-13-20-9-7-17(15)22-18/h14,19-20H,1-13H2/t14-/m1/s1
InChIKeyFCZGGDMTTUQECS-CQSZACIVSA-N
MW315.47 g/mol
LogP1.65
Rot. Bonds4

About 4-[2-[(3R)-piperidin-3-yl]ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-[2-[(3R)-piperidin-3-yl]ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 92548269) has the molecular formula C18H29N5 and a molecular weight of 315.47 g/mol. Its IUPAC name is 4-[2-[(3R)-piperidin-3-yl]ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-[2-[(3R)-piperidin-3-yl]ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID92548269
Molecular FormulaC18H29N5
Molecular Weight315.47 g/mol
Exact Mass315.24
IUPAC Name4-[2-[(3R)-piperidin-3-yl]ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESC1CNC[C@@H](CCc2nc(N3CCCC3)nc3c2CNCC3)C1
InChIInChI=1S/C18H29N5/c1-2-11-23(10-1)18-21-16(6-5-14-4-3-8-19-12-14)15-13-20-9-7-17(15)22-18/h14,19-20H,1-13H2/t14-/m1/s1
InChIKeyFCZGGDMTTUQECS-CQSZACIVSA-N
XLogP1.65
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-piperidin-3-ylethyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 46958032
3-piperidin-1-yl-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 116807301
2-(azepan-1-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742589
2-piperidin-1-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737989
4-(azepan-1-yl)-N-piperidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
CID 66902953
2-(4-methylpiperazin-1-yl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741010
4-(4-methylphenyl)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 46201971
2-(azepan-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117101225
2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 117101029
4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 120847701
4-(4-fluorophenyl)-2-piperidin-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepine;hydrochloride
CID 67367537
2-(azetidin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 117101214

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3R)-piperidin-3-yl]ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-[2-[(3R)-piperidin-3-yl]ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 92548269) is 4-[2-[(3R)-piperidin-3-yl]ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-[2-[(3R)-piperidin-3-yl]ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-[2-[(3R)-piperidin-3-yl]ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is C1CNC[C@@H](CCc2nc(N3CCCC3)nc3c2CNCC3)C1.
What is the InChIKey of 4-[2-[(3R)-piperidin-3-yl]ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is FCZGGDMTTUQECS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H29N5/c1-2-11-23(10-1)18-21-16(6-5-14-4-3-8-19-12-14)15-13-20-9-7-17(15)22-18/h14,19-20H,1-13H2/t14-/m1/s1.
What are the key properties of 4-[2-[(3R)-piperidin-3-yl]ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-[2-[(3R)-piperidin-3-yl]ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 315.47 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3R)-piperidin-3-yl]ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 92548269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).