N-(2-methoxyethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide

C19H31N5O3 — CID 56918982

IUPACN-(2-methoxyethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C2CCN(c3nccc(OC)n3)CC2)C1
InChIInChI=1S/C19H31N5O3/c1-26-13-9-20-18(25)15-4-3-10-24(14-15)16-6-11-23(12-7-16)19-21-8-5-17(22-19)27-2/h5,8,15-16H,3-4,6-7,9-14H2,1-2H3,(H,20,25)
InChIKeyXVNBNVZAMACYDV-UHFFFAOYSA-N
MW377.49 g/mol
LogP0.93
Rot. Bonds7

About N-(2-methoxyethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide

N-(2-methoxyethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 56918982) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID56918982
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC NameN-(2-methoxyethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C2CCN(c3nccc(OC)n3)CC2)C1
InChIInChI=1S/C19H31N5O3/c1-26-13-9-20-18(25)15-4-3-10-24(14-15)16-6-11-23(12-7-16)19-21-8-5-17(22-19)27-2/h5,8,15-16H,3-4,6-7,9-14H2,1-2H3,(H,20,25)
InChIKeyXVNBNVZAMACYDV-UHFFFAOYSA-N
XLogP0.93
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

US9624218, Example 13
CID 138374299
N-ethyl-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 32114116
2-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 47073311
N-[rel-(3R,4S)-1-(4-methoxy-2-pyrimidinyl)-4-propyl-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 72878117
7-Isopropyl-2-(4-methoxypyrimidin-2-YL)-2,7-diazaspiro[4.5]decan-6-one
CID 72904636
9-(6-Methoxypyrimidin-4-yl)-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118740703
3-((4-Methoxypyrimidin-2-yl)amino)piperidin-2-one
CID 47476528
ethyl (4aS,8aR)-6-(4-methoxypyrimidin-2-yl)-1,2,3,4,5,7,8,8a-octahydro-1,6-naphthyridine-4a-carboxylate
CID 56908657
(6R)-2-(2-methoxyethyl)-8-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96399302
cyclopentyl-[(3S)-3-[(4-methoxypyrimidin-2-yl)amino]azepan-1-yl]methanone
CID 96571256
(3S)-3-cyclohexyl-3-[(4-methoxypyrimidin-2-yl)amino]propanamide
CID 97327723
9-(4-Ethoxypyrimidin-2-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 129610013

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide (CID 56918982) is N-(2-methoxyethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide is COCCNC(=O)C1CCCN(C2CCN(c3nccc(OC)n3)CC2)C1.
What is the InChIKey of N-(2-methoxyethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is XVNBNVZAMACYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-26-13-9-20-18(25)15-4-3-10-24(14-15)16-6-11-23(12-7-16)19-21-8-5-17(22-19)27-2/h5,8,15-16H,3-4,6-7,9-14H2,1-2H3,(H,20,25).
What are the key properties of N-(2-methoxyethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide?
N-(2-methoxyethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56918982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).