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

C19H30N4O3 — CID 95548945

IUPAC(3R)-N-(2-methoxyethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3ccc[nH]3)CC2)C1
InChIInChI=1S/C19H30N4O3/c1-26-13-9-21-18(24)15-4-3-10-23(14-15)16-6-11-22(12-7-16)19(25)17-5-2-8-20-17/h2,5,8,15-16,20H,3-4,6-7,9-14H2,1H3,(H,21,24)/t15-/m1/s1
InChIKeyWQWAPRMBDQAGQB-OAHLLOKOSA-N
MW362.47 g/mol
LogP1.09
Rot. Bonds6

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

(3R)-N-(2-methoxyethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95548945) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is (3R)-N-(2-methoxyethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-methoxyethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID95548945
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name(3R)-N-(2-methoxyethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3ccc[nH]3)CC2)C1
InChIInChI=1S/C19H30N4O3/c1-26-13-9-21-18(24)15-4-3-10-23(14-15)16-6-11-22(12-7-16)19(25)17-5-2-8-20-17/h2,5,8,15-16,20H,3-4,6-7,9-14H2,1H3,(H,21,24)/t15-/m1/s1
InChIKeyWQWAPRMBDQAGQB-OAHLLOKOSA-N
XLogP1.09
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56868672
(3S)-N-(2-phenylethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96571690
(3S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95527920
(3S)-N-(2-methoxyethyl)-1-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95558051
(3R)-N-(2-methoxyethyl)-1-[1-(thiophene-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557399
(3S)-1-[1-(2-hydroxyacetyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95552974
(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95188241
(3R)-1-[1-(1-ethylpyrazole-4-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95455972
(3S)-N-(2-methoxyethyl)-1-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95555709
1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56758609
(3R)-1-[1-[(2-ethylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95218762
1-[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56744997

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methoxyethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-methoxyethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide (CID 95548945) is (3R)-N-(2-methoxyethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-methoxyethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-methoxyethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide is COCCNC(=O)[C@@H]1CCCN(C2CCN(C(=O)c3ccc[nH]3)CC2)C1.
What is the InChIKey of (3R)-N-(2-methoxyethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is WQWAPRMBDQAGQB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-26-13-9-21-18(24)15-4-3-10-23(14-15)16-6-11-22(12-7-16)19(25)17-5-2-8-20-17/h2,5,8,15-16,20H,3-4,6-7,9-14H2,1H3,(H,21,24)/t15-/m1/s1.
What are the key properties of (3R)-N-(2-methoxyethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
(3R)-N-(2-methoxyethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methoxyethyl)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95548945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).