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

C19H31N5O2 — CID 95553576

IUPAC(3R)-N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCCN(C2CCN(c3nccc(C)n3)CC2)C1
InChIInChI=1S/C19H31N5O2/c1-15-5-8-21-19(22-15)23-11-6-17(7-12-23)24-10-3-4-16(14-24)18(25)20-9-13-26-2/h5,8,16-17H,3-4,6-7,9-14H2,1-2H3,(H,20,25)/t16-/m1/s1
InChIKeyAHEIEXRUAPDRRR-MRXNPFEDSA-N
MW361.49 g/mol
LogP1.23
Rot. Bonds6

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

(3R)-N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95553576) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is (3R)-N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID95553576
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name(3R)-N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCCN(C2CCN(c3nccc(C)n3)CC2)C1
InChIInChI=1S/C19H31N5O2/c1-15-5-8-21-19(22-15)23-11-6-17(7-12-23)24-10-3-4-16(14-24)18(25)20-9-13-26-2/h5,8,16-17H,3-4,6-7,9-14H2,1-2H3,(H,20,25)/t16-/m1/s1
InChIKeyAHEIEXRUAPDRRR-MRXNPFEDSA-N
XLogP1.23
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56873787
(3S)-N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95553575
(3S)-N-(2-methoxyethyl)-1-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95561284
(3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95549665
1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56880429
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56880421
1-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56878526
N-(2-methoxyethyl)-1-[4-(4-methylanilino)pyrimidin-2-yl]piperidine-3-carboxamide
CID 134801627
1-[1-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56865643
(3R)-1-[1-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95502510
(3S)-N-(2-methoxyethyl)-1-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95402453
1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 70770161

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide (CID 95553576) is (3R)-N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide is COCCNC(=O)[C@@H]1CCCN(C2CCN(c3nccc(C)n3)CC2)C1.
What is the InChIKey of (3R)-N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is AHEIEXRUAPDRRR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-15-5-8-21-19(22-15)23-11-6-17(7-12-23)24-10-3-4-16(14-24)18(25)20-9-13-26-2/h5,8,16-17H,3-4,6-7,9-14H2,1-2H3,(H,20,25)/t16-/m1/s1.
What are the key properties of (3R)-N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide?
(3R)-N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95553576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).