3-(2-amino-6-oxo-1H-purin-9-yl)-N-(1-benzylpiperidin-4-yl)propanamide

C20H25N7O2 — CID 135528846

IUPAC3-(2-amino-6-oxo-1H-purin-9-yl)-N-(1-benzylpiperidin-4-yl)propanamide
SMILESNc1nc2c(ncn2CCC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)[nH]1
InChIInChI=1S/C20H25N7O2/c21-20-24-18-17(19(29)25-20)22-13-27(18)11-8-16(28)23-15-6-9-26(10-7-15)12-14-4-2-1-3-5-14/h1-5,13,15H,6-12H2,(H,23,28)(H3,21,24,25,29)
InChIKeyUXQCKQQCFUXIBL-UHFFFAOYSA-N
MW395.47 g/mol
LogP0.87
Rot. Bonds6

About 3-(2-amino-6-oxo-1H-purin-9-yl)-N-(1-benzylpiperidin-4-yl)propanamide

3-(2-amino-6-oxo-1H-purin-9-yl)-N-(1-benzylpiperidin-4-yl)propanamide (PubChem CID 135528846) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 3-(2-amino-6-oxo-1H-purin-9-yl)-N-(1-benzylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(2-amino-6-oxo-1H-purin-9-yl)-N-(1-benzylpiperidin-4-yl)propanamide
PubChem CID135528846
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name3-(2-amino-6-oxo-1H-purin-9-yl)-N-(1-benzylpiperidin-4-yl)propanamide
SMILESNc1nc2c(ncn2CCC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)[nH]1
InChIInChI=1S/C20H25N7O2/c21-20-24-18-17(19(29)25-20)22-13-27(18)11-8-16(28)23-15-6-9-26(10-7-15)12-14-4-2-1-3-5-14/h1-5,13,15H,6-12H2,(H,23,28)(H3,21,24,25,29)
InChIKeyUXQCKQQCFUXIBL-UHFFFAOYSA-N
XLogP0.87
TPSA121.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
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CID 53028199
4-[3-(2-amino-6-oxo-1H-purin-9-yl)propanoylamino]benzoic acid
CID 135515441
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 25495928
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
N-[4-(1-adamantyl)phenyl]-3-(2-amino-6-oxo-1H-purin-9-yl)propanamide
CID 176780617
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
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2-amino-9-(2-pyridin-3-ylethyl)-1H-purin-6-one
CID 136934425
3-(1-benzyl-2,4-dioxoquinazolin-3-yl)-N-(1-benzylpiperidin-4-yl)propanamide
CID 15994271
N-(1-benzylpiperidin-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 38548825
3-(1,3-benzoxazol-2-yl)-N-(1-benzylpiperidin-4-yl)propanamide
CID 39754999

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-oxo-1H-purin-9-yl)-N-(1-benzylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(2-amino-6-oxo-1H-purin-9-yl)-N-(1-benzylpiperidin-4-yl)propanamide (CID 135528846) is 3-(2-amino-6-oxo-1H-purin-9-yl)-N-(1-benzylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(2-amino-6-oxo-1H-purin-9-yl)-N-(1-benzylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(2-amino-6-oxo-1H-purin-9-yl)-N-(1-benzylpiperidin-4-yl)propanamide is Nc1nc2c(ncn2CCC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)[nH]1.
What is the InChIKey of 3-(2-amino-6-oxo-1H-purin-9-yl)-N-(1-benzylpiperidin-4-yl)propanamide?
The InChIKey is UXQCKQQCFUXIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c21-20-24-18-17(19(29)25-20)22-13-27(18)11-8-16(28)23-15-6-9-26(10-7-15)12-14-4-2-1-3-5-14/h1-5,13,15H,6-12H2,(H,23,28)(H3,21,24,25,29).
What are the key properties of 3-(2-amino-6-oxo-1H-purin-9-yl)-N-(1-benzylpiperidin-4-yl)propanamide?
3-(2-amino-6-oxo-1H-purin-9-yl)-N-(1-benzylpiperidin-4-yl)propanamide has a molecular weight of 395.47 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-oxo-1H-purin-9-yl)-N-(1-benzylpiperidin-4-yl)propanamide is sourced from PubChem (CID 135528846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).