(3S)-N-(2-methoxyethyl)-1-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]piperidine-3-carboxamide

C21H34N4O3 — CID 95402453

IUPAC(3S)-N-(2-methoxyethyl)-1-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)[C@H]1CCCN(C2CCN(Cc3cc(OC)ccn3)CC2)C1
InChIInChI=1S/C21H34N4O3/c1-27-13-9-23-21(26)17-4-3-10-25(15-17)19-6-11-24(12-7-19)16-18-14-20(28-2)5-8-22-18/h5,8,14,17,19H,3-4,6-7,9-13,15-16H2,1-2H3,(H,23,26)/t17-/m0/s1
InChIKeyYXYQUGJIZJFMEM-KRWDZBQOSA-N
MW390.53 g/mol
LogP1.53
Rot. Bonds8

About (3S)-N-(2-methoxyethyl)-1-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]piperidine-3-carboxamide

(3S)-N-(2-methoxyethyl)-1-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95402453) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is (3S)-N-(2-methoxyethyl)-1-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methoxyethyl)-1-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID95402453
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC Name(3S)-N-(2-methoxyethyl)-1-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCOCCNC(=O)[C@H]1CCCN(C2CCN(Cc3cc(OC)ccn3)CC2)C1
InChIInChI=1S/C21H34N4O3/c1-27-13-9-23-21(26)17-4-3-10-25(15-17)19-6-11-24(12-7-19)16-18-14-20(28-2)5-8-22-18/h5,8,14,17,19H,3-4,6-7,9-13,15-16H2,1-2H3,(H,23,26)/t17-/m0/s1
InChIKeyYXYQUGJIZJFMEM-KRWDZBQOSA-N
XLogP1.53
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 51.53
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-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 56759926
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-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95218435
(3R)-1-[1-[(2-ethylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95218762
(3R)-1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95222683
(3R)-1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95560997
(3S)-1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95560996
(3S)-1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95188586
(3R)-1-[1-(1-benzofuran-5-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95202895
(3S)-1-[1-(1-benzofuran-5-ylmethyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95202896
1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56758609

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methoxyethyl)-1-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-methoxyethyl)-1-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]piperidine-3-carboxamide (CID 95402453) is (3S)-N-(2-methoxyethyl)-1-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-methoxyethyl)-1-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-methoxyethyl)-1-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]piperidine-3-carboxamide is COCCNC(=O)[C@H]1CCCN(C2CCN(Cc3cc(OC)ccn3)CC2)C1.
What is the InChIKey of (3S)-N-(2-methoxyethyl)-1-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is YXYQUGJIZJFMEM-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H34N4O3/c1-27-13-9-23-21(26)17-4-3-10-25(15-17)19-6-11-24(12-7-19)16-18-14-20(28-2)5-8-22-18/h5,8,14,17,19H,3-4,6-7,9-13,15-16H2,1-2H3,(H,23,26)/t17-/m0/s1.
What are the key properties of (3S)-N-(2-methoxyethyl)-1-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
(3S)-N-(2-methoxyethyl)-1-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methoxyethyl)-1-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95402453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).