1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one

C22H31N3O3 — CID 47042743

IUPAC1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCC(CN3CCOCC3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C22H31N3O3/c26-21-14-20(17-25(21)16-18-4-2-1-3-5-18)22(27)24-8-6-19(7-9-24)15-23-10-12-28-13-11-23/h1-5,19-20H,6-17H2
InChIKeyBKLUCSVYTMLNKZ-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.61
Rot. Bonds5

About 1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one

1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 47042743) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID47042743
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCC(CN3CCOCC3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C22H31N3O3/c26-21-14-20(17-25(21)16-18-4-2-1-3-5-18)22(27)24-8-6-19(7-9-24)15-23-10-12-28-13-11-23/h1-5,19-20H,6-17H2
InChIKeyBKLUCSVYTMLNKZ-UHFFFAOYSA-N
XLogP1.61
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561502
N-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]-2-cyanoacetamide
CID 108922031
1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119623169
1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 55845373
(4S)-4-(1,4-oxazepane-4-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97202475
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one
CID 27509800
phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 108568580
(3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 93017350
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 56807347
4-(4-benzylpiperidine-1-carbonyl)-1-[(3-bromophenyl)methyl]pyrrolidin-2-one
CID 46109656
4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 55891693
4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239066

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 47042743) is 1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one is O=C1CC(C(=O)N2CCC(CN3CCOCC3)CC2)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is BKLUCSVYTMLNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c26-21-14-20(17-25(21)16-18-4-2-1-3-5-18)22(27)24-8-6-19(7-9-24)15-23-10-12-28-13-11-23/h1-5,19-20H,6-17H2.
What are the key properties of 1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 385.51 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 47042743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).