N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide

C22H25N5O3 — CID 108557384

IUPACN-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CC(=O)N(Cc3ccccc3)C2)CC1)c1cnccn1
InChIInChI=1S/C22H25N5O3/c28-20-12-17(15-27(20)14-16-4-2-1-3-5-16)22(30)26-10-6-18(7-11-26)25-21(29)19-13-23-8-9-24-19/h1-5,8-9,13,17-18H,6-7,10-12,14-15H2,(H,25,29)
InChIKeyIBWUEESOJFZLFD-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.25
Rot. Bonds5

About N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide

N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 108557384) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID108557384
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CC(=O)N(Cc3ccccc3)C2)CC1)c1cnccn1
InChIInChI=1S/C22H25N5O3/c28-20-12-17(15-27(20)14-16-4-2-1-3-5-16)22(30)26-10-6-18(7-11-26)25-21(29)19-13-23-8-9-24-19/h1-5,8-9,13,17-18H,6-7,10-12,14-15H2,(H,25,29)
InChIKeyIBWUEESOJFZLFD-UHFFFAOYSA-N
XLogP1.25
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550808
1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561502
1-benzyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 108552482
1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119623169
N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pentanamide
CID 108555513
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557834
4-(4-phenylmethoxypiperidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 131915998
N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557355
1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 47042743
phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 108568580
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 56807347
2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821271

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide (CID 108557384) is N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide is O=C(NC1CCN(C(=O)C2CC(=O)N(Cc3ccccc3)C2)CC1)c1cnccn1.
What is the InChIKey of N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is IBWUEESOJFZLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c28-20-12-17(15-27(20)14-16-4-2-1-3-5-16)22(30)26-10-6-18(7-11-26)25-21(29)19-13-23-8-9-24-19/h1-5,8-9,13,17-18H,6-7,10-12,14-15H2,(H,25,29).
What are the key properties of N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide?
N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 108557384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).