(5S)-5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one

C22H35N5O3 — CID 28786073

IUPAC(5S)-5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCC(Cn3ccnc3)CC2)CN1CCCN1CCOCC1
InChIInChI=1S/C22H35N5O3/c28-21-3-2-20(17-27(21)8-1-7-24-12-14-30-15-13-24)22(29)26-9-4-19(5-10-26)16-25-11-6-23-18-25/h6,11,18-20H,1-5,7-10,12-17H2/t20-/m0/s1
InChIKeyTUUZSCVFVAXITG-FQEVSTJZSA-N
MW417.55 g/mol
LogP1.08
Rot. Bonds7

About (5S)-5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one

(5S)-5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one (PubChem CID 28786073) has the molecular formula C22H35N5O3 and a molecular weight of 417.55 g/mol. Its IUPAC name is (5S)-5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one.

Molecular Properties

Compound Name(5S)-5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one
PubChem CID28786073
Molecular FormulaC22H35N5O3
Molecular Weight417.55 g/mol
Exact Mass417.27
IUPAC Name(5S)-5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCC(Cn3ccnc3)CC2)CN1CCCN1CCOCC1
InChIInChI=1S/C22H35N5O3/c28-21-3-2-20(17-27(21)8-1-7-24-12-14-30-15-13-24)22(29)26-9-4-19(5-10-26)16-25-11-6-23-18-25/h6,11,18-20H,1-5,7-10,12-17H2/t20-/m0/s1
InChIKeyTUUZSCVFVAXITG-FQEVSTJZSA-N
XLogP1.08
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5S)-5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one with MolForge

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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
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
[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 132971293
4-(3-{1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-piperidinyl}propanoyl)morpholine
CID 26398231
4-(3-{1-[(1-ethyl-1H-imidazol-2-yl)methyl]-4-piperidinyl}propanoyl)morpholine
CID 42593095
5-{[4-(1H-imidazol-1-ylmethyl)-1-piperidinyl]carbonyl}-1-[3-(4-morpholinyl)propyl]-2-piperidinone
CID 45236464
3-hydroxy-3-{[4-hydroxy-4-(1H-imidazol-1-ylmethyl)piperidin-1-yl]methyl}-1-(2-methoxyethyl)piperidin-2-one
CID 56712823

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one?
The IUPAC name of (5S)-5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one (CID 28786073) is (5S)-5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one.
What is the SMILES notation for (5S)-5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one?
The canonical SMILES for (5S)-5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one is O=C1CC[C@H](C(=O)N2CCC(Cn3ccnc3)CC2)CN1CCCN1CCOCC1.
What is the InChIKey of (5S)-5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one?
The InChIKey is TUUZSCVFVAXITG-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H35N5O3/c28-21-3-2-20(17-27(21)8-1-7-24-12-14-30-15-13-24)22(29)26-9-4-19(5-10-26)16-25-11-6-23-18-25/h6,11,18-20H,1-5,7-10,12-17H2/t20-/m0/s1.
What are the key properties of (5S)-5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one?
(5S)-5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one has a molecular weight of 417.55 g/mol, XLogP of 1.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one is sourced from PubChem (CID 28786073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).