(3S)-8-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

C18H29N5O2 — CID 136768511

IUPAC(3S)-8-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCc1cc(=O)[nH]cn1
InChIInChI=1S/C18H29N5O2/c1-3-6-23-12-18(4-7-22(2)8-5-18)10-15(23)17(25)19-11-14-9-16(24)21-13-20-14/h9,13,15H,3-8,10-12H2,1-2H3,(H,19,25)(H,20,21,24)/t15-/m0/s1
InChIKeyFZOLWVNSYNNRIG-HNNXBMFYSA-N
MW347.46 g/mol
LogP0.58
Rot. Bonds5

About (3S)-8-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

(3S)-8-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 136768511) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (3S)-8-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3S)-8-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID136768511
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(3S)-8-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCc1cc(=O)[nH]cn1
InChIInChI=1S/C18H29N5O2/c1-3-6-23-12-18(4-7-22(2)8-5-18)10-15(23)17(25)19-11-14-9-16(24)21-13-20-14/h9,13,15H,3-8,10-12H2,1-2H3,(H,19,25)(H,20,21,24)/t15-/m0/s1
InChIKeyFZOLWVNSYNNRIG-HNNXBMFYSA-N
XLogP0.58
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-8-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(6-hydroxy-4-pyrimidinyl)methyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 136217050
N-[(6-hydroxy-4-pyrimidinyl)methyl]-2-(1-propyl-4-piperidinyl)acetamide
CID 136217117
(5R)-7,7-difluoro-2-methyl-9-(6-oxo-1H-pyrimidine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 137209809
(5S)-7,7-difluoro-2-methyl-9-(6-oxo-1H-pyrimidine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 137209810
7,7-difluoro-2-methyl-9-(6-oxo-1H-pyrimidine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 137212875
3-{[1-(2-Oxopyrrolidin-3-yl)piperidin-4-yl]methyl}-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 126942334
6-Tert-butyl-3-{[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126944255
6-Tert-butyl-3-{[1-(2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl}-3,4-dihydropyrimidin-4-one
CID 126944574
1-ethyl-3-methyl-N-[(6-oxo-1,6-dihydropyrimidin-4-yl)methyl]piperidine-3-carboxamide
CID 135859855
(3R)-1-ethyl-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide
CID 135889771
(3S)-1-ethyl-3-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperidine-3-carboxamide
CID 135889772
N-[(6-hydroxypyrimidin-4-yl)methyl]-1-piperidin-1-ylcyclohexanecarboxamide
CID 136037738

Frequently Asked Questions

What is the IUPAC name of (3S)-8-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3S)-8-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 136768511) is (3S)-8-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3S)-8-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3S)-8-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCc1cc(=O)[nH]cn1.
What is the InChIKey of (3S)-8-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is FZOLWVNSYNNRIG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-3-6-23-12-18(4-7-22(2)8-5-18)10-15(23)17(25)19-11-14-9-16(24)21-13-20-14/h9,13,15H,3-8,10-12H2,1-2H3,(H,19,25)(H,20,21,24)/t15-/m0/s1.
What are the key properties of (3S)-8-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3S)-8-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-methyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 136768511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).