N-(cyclopropylmethyl)-1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]piperidine-3-carboxamide

C19H26N6O4 — CID 55845837

IUPACN-(cyclopropylmethyl)-1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]piperidine-3-carboxamide
SMILESCn1cnc2c1c(=O)n(CC(=O)N1CCCC(C(=O)NCC3CC3)C1)c(=O)n2C
InChIInChI=1S/C19H26N6O4/c1-22-11-21-16-15(22)18(28)25(19(29)23(16)2)10-14(26)24-7-3-4-13(9-24)17(27)20-8-12-5-6-12/h11-13H,3-10H2,1-2H3,(H,20,27)
InChIKeyHMSCTYFNGJKWNC-UHFFFAOYSA-N
MW402.46 g/mol
LogP-0.80
Rot. Bonds5

About N-(cyclopropylmethyl)-1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]piperidine-3-carboxamide

N-(cyclopropylmethyl)-1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]piperidine-3-carboxamide (PubChem CID 55845837) has the molecular formula C19H26N6O4 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]piperidine-3-carboxamide
PubChem CID55845837
Molecular FormulaC19H26N6O4
Molecular Weight402.46 g/mol
Exact Mass402.20
IUPAC NameN-(cyclopropylmethyl)-1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]piperidine-3-carboxamide
SMILESCn1cnc2c1c(=O)n(CC(=O)N1CCCC(C(=O)NCC3CC3)C1)c(=O)n2C
InChIInChI=1S/C19H26N6O4/c1-22-11-21-16-15(22)18(28)25(19(29)23(16)2)10-14(26)24-7-3-4-13(9-24)17(27)20-8-12-5-6-12/h11-13H,3-10H2,1-2H3,(H,20,27)
InChIKeyHMSCTYFNGJKWNC-UHFFFAOYSA-N
XLogP-0.80
TPSA111.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(cyclopropylmethyl)-1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]piperidine-3-carboxamide with MolForge

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Related Compounds

3,7-dimethyl-1-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]purine-2,6-dione
CID 155552199
3,7-dimethyl-1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]purine-2,6-dione;hydrochloride
CID 119648700
3,7-dimethyl-1-(2-oxo-2-thiomorpholin-4-ylethyl)purine-2,6-dione
CID 56797112
(3S)-1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]piperidine-3-carboxylic acid
CID 92659273
(3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94182054
N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119724080
1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-oxoethyl]-3,7-dimethylpurine-2,6-dione
CID 112836367
N-(cyclopropylmethyl)-1-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]piperidine-3-carboxamide
CID 55868809
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
CID 47096637
1-[2-(4-hydroxycyclohexyl)ethyl]-3,7-dimethylpurine-2,6-dione
CID 129099904
N-(cyclopropylmethyl)-1-[2-methyl-2-(4-methylimidazol-1-yl)propanoyl]piperidine-3-carboxamide
CID 127267373
N-[3-[[[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]amino]methyl]phenyl]cyclopentanecarboxamide
CID 55894420

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]piperidine-3-carboxamide (CID 55845837) is N-(cyclopropylmethyl)-1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]piperidine-3-carboxamide is Cn1cnc2c1c(=O)n(CC(=O)N1CCCC(C(=O)NCC3CC3)C1)c(=O)n2C.
What is the InChIKey of N-(cyclopropylmethyl)-1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is HMSCTYFNGJKWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O4/c1-22-11-21-16-15(22)18(28)25(19(29)23(16)2)10-14(26)24-7-3-4-13(9-24)17(27)20-8-12-5-6-12/h11-13H,3-10H2,1-2H3,(H,20,27).
What are the key properties of N-(cyclopropylmethyl)-1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]piperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 402.46 g/mol, XLogP of -0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 55845837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).