[(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone

C21H35N5O2 — CID 56860823

IUPAC[(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone
SMILESCn1ccnc1CN1C[C@@H](CN2CCOCC2)C[C@@H](C(=O)N2CCCCC2)C1
InChIInChI=1S/C21H35N5O2/c1-23-8-5-22-20(23)17-25-15-18(14-24-9-11-28-12-10-24)13-19(16-25)21(27)26-6-3-2-4-7-26/h5,8,18-19H,2-4,6-7,9-17H2,1H3/t18-,19-/m1/s1
InChIKeyVXDUAVRPHODTQN-RTBURBONSA-N
MW389.54 g/mol
LogP1.20
Rot. Bonds5

About [(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone

[(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 56860823) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is [(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone
PubChem CID56860823
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC Name[(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone
SMILESCn1ccnc1CN1C[C@@H](CN2CCOCC2)C[C@@H](C(=O)N2CCCCC2)C1
InChIInChI=1S/C21H35N5O2/c1-23-8-5-22-20(23)17-25-15-18(14-24-9-11-28-12-10-24)13-19(16-25)21(27)26-6-3-2-4-7-26/h5,8,18-19H,2-4,6-7,9-17H2,1H3/t18-,19-/m1/s1
InChIKeyVXDUAVRPHODTQN-RTBURBONSA-N
XLogP1.20
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R,5R)-1-[(1-methylimidazol-2-yl)methyl]-5-[(4-methylpiperazin-1-yl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56853154
(3R,5S)-N-[(3,5-dimethylphenyl)methyl]-1-[(1-methylimidazol-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidine-3-carboxamide
CID 56853910
[(3R,5S)-1-[(4-hydroxyphenyl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 56852374
[(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56857620
(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-N-(2-morpholin-4-ylethyl)-5-(pyridin-3-yloxymethyl)piperidine-3-carboxamide
CID 56858217
[(3S)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95549340
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 56885339
[(3S)-1-cyclopentylpiperidin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 97202242
4-[(1-methylimidazol-2-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
CID 110130952
[(6R)-1'-[(1-methylimidazol-2-yl)methyl]spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-yl]-morpholin-4-ylmethanone
CID 97401296
N,N-dimethyl-1-[(1-methylimidazol-2-yl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 127245439
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 154737586

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone (CID 56860823) is [(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone is Cn1ccnc1CN1C[C@@H](CN2CCOCC2)C[C@@H](C(=O)N2CCCCC2)C1.
What is the InChIKey of [(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is VXDUAVRPHODTQN-RTBURBONSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-23-8-5-22-20(23)17-25-15-18(14-24-9-11-28-12-10-24)13-19(16-25)21(27)26-6-3-2-4-7-26/h5,8,18-19H,2-4,6-7,9-17H2,1H3/t18-,19-/m1/s1.
What are the key properties of [(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone?
[(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 389.54 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 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]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56860823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).