(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide

C20H35N5O2 — CID 56860690

IUPAC(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)[C@@H]1C[C@H](CN2CCOCC2)CN(Cc2nccn2C)C1
InChIInChI=1S/C20H35N5O2/c1-16(2)11-22-20(26)18-10-17(12-24-6-8-27-9-7-24)13-25(14-18)15-19-21-4-5-23(19)3/h4-5,16-18H,6-15H2,1-3H3,(H,22,26)/t17-,18-/m1/s1
InChIKeyLXCAAHSJHTYJTM-QZTJIDSGSA-N
MW377.53 g/mol
LogP0.96
Rot. Bonds7

About (3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide

(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 56860690) has the molecular formula C20H35N5O2 and a molecular weight of 377.53 g/mol. Its IUPAC name is (3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID56860690
Molecular FormulaC20H35N5O2
Molecular Weight377.53 g/mol
Exact Mass377.28
IUPAC Name(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide
SMILESCC(C)CNC(=O)[C@@H]1C[C@H](CN2CCOCC2)CN(Cc2nccn2C)C1
InChIInChI=1S/C20H35N5O2/c1-16(2)11-22-20(26)18-10-17(12-24-6-8-27-9-7-24)13-25(14-18)15-19-21-4-5-23(19)3/h4-5,16-18H,6-15H2,1-3H3,(H,22,26)/t17-,18-/m1/s1
InChIKeyLXCAAHSJHTYJTM-QZTJIDSGSA-N
XLogP0.96
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(methoxyacetyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine-3-carboxamide
CID 50966365
N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxamide
CID 72923453
1'-(3-Methylbutanoyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 118744711
1-N'-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1',6-dicarboxamide
CID 118744714
3-{2-[4-(1-ethyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl}morpholine
CID 72847432
2-[3-(1H-imidazol-1-yl)propyl]-9-(3-morpholinylacetyl)-2,9-diazaspiro[5.5]undecan-3-one dihydrochloride
CID 72837357
(3R*,5R*)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide
CID 72838854
4-{[(3R*,5R*)-5-({4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazin-1-yl}carbonyl)piperidin-3-yl]carbonyl}morpholine
CID 72847573
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-[2-(4-morpholinyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 72872983
N,N-dimethyl-3-(2-{1-[(1-methyl-3-piperidinyl)carbonyl]-4-piperidinyl}-1H-imidazol-1-yl)-1-propanamine
CID 72940770
3-{2-[4-(1H-imidazol-2-yl)-1-piperidinyl]-2-oxoethyl}morpholine
CID 70781326
[(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-3-piperidinyl)methyl]methylamine dihydrochloride
CID 74247070

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide (CID 56860690) is (3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide is CC(C)CNC(=O)[C@@H]1C[C@H](CN2CCOCC2)CN(Cc2nccn2C)C1.
What is the InChIKey of (3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is LXCAAHSJHTYJTM-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H35N5O2/c1-16(2)11-22-20(26)18-10-17(12-24-6-8-27-9-7-24)13-25(14-18)15-19-21-4-5-23(19)3/h4-5,16-18H,6-15H2,1-3H3,(H,22,26)/t17-,18-/m1/s1.
What are the key properties of (3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide?
(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56860690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).