N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide

C20H30N4O3 — CID 70750873

IUPACN-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCCCC2)ncc1C(=O)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C20H30N4O3/c1-15-17(14-21-19(22-15)24-8-3-2-4-9-24)18(25)23-16-5-10-27-20(13-16)6-11-26-12-7-20/h14,16H,2-13H2,1H3,(H,23,25)
InChIKeyVMIVVJCWVPJUDD-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.23
Rot. Bonds3

About N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide

N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide (PubChem CID 70750873) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
PubChem CID70750873
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCCCC2)ncc1C(=O)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C20H30N4O3/c1-15-17(14-21-19(22-15)24-8-3-2-4-9-24)18(25)23-16-5-10-27-20(13-16)6-11-26-12-7-20/h14,16H,2-13H2,1H3,(H,23,25)
InChIKeyVMIVVJCWVPJUDD-UHFFFAOYSA-N
XLogP2.23
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US10906888, Example 91
CID 145441216
N-{[8-(5-acetyl-4-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}acetamide
CID 72912414
N-[rac-7-(dimethylamino)-2-oxabicyclo[3.2.0]hept-6-yl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 91762934
(3R*,4R*)-3-methyl-1-[(4-methyl-5-pyrimidinyl)carbonyl]-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72845113
7-[(4-Methylpyrimidin-5-yl)carbonyl]-1-oxa-7-azaspiro[3.5]nonane
CID 74235118
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidine-5-carboxamide
CID 74238262
2-amino-N-[(1S,2R)-2-(methoxymethyl)cyclopentyl]-4-methylpyrimidine-5-carboxamide
CID 164641585
[2-[[(1S,2S,4R)-1,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]amino]-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 58168815
[2-[(3-Methoxy-1-adamantyl)amino]-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 58168843
[4-(difluoromethyl)-2-[[(1S,2S,4R)-1,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl]amino]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 68046745
2-[[(1S,3R)-3-methylcyclohexyl]amino]-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 70842993
5-{[2-(2-Methoxyethyl)piperidin-1-yl]carbonyl}-4-(trifluoromethyl)pyrimidin-2-amine
CID 91835654

Frequently Asked Questions

What is the IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide (CID 70750873) is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide is Cc1nc(N2CCCCC2)ncc1C(=O)NC1CCOC2(CCOCC2)C1.
What is the InChIKey of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is VMIVVJCWVPJUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-15-17(14-21-19(22-15)24-8-3-2-4-9-24)18(25)23-16-5-10-27-20(13-16)6-11-26-12-7-20/h14,16H,2-13H2,1H3,(H,23,25).
What are the key properties of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide?
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 70750873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).