(4R)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one

C21H34N4O2 — CID 97274448

IUPAC(4R)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCCCCn1ccnc1C1CCN(C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)CC1
InChIInChI=1S/C21H34N4O2/c1-4-5-9-23-12-8-22-20(23)17-6-10-24(11-7-17)21(27)18-13-19(26)25(15-18)14-16(2)3/h8,12,16-18H,4-7,9-11,13-15H2,1-3H3/t18-/m1/s1
InChIKeyBCZOLYPJSJBEFT-GOSISDBHSA-N
MW374.53 g/mol
LogP2.89
Rot. Bonds7

About (4R)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one

(4R)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 97274448) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is (4R)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID97274448
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name(4R)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCCCCn1ccnc1C1CCN(C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)CC1
InChIInChI=1S/C21H34N4O2/c1-4-5-9-23-12-8-22-20(23)17-6-10-24(11-7-17)21(27)18-13-19(26)25(15-18)14-16(2)3/h8,12,16-18H,4-7,9-11,13-15H2,1-3H3/t18-/m1/s1
InChIKeyBCZOLYPJSJBEFT-GOSISDBHSA-N
XLogP2.89
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 97114697
1-(2-methoxyethyl)-4-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 72846613
2-[(3S)-3-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97285199
(4S)-1-ethyl-4-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 97280064
(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97150099
(2S)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 97143967
2-(azepan-1-yl)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]ethanone
CID 72854261
(4S)-1-(2-methylpropyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 36982278
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 72925619
4-(1-butylimidazol-2-yl)-1-propan-2-ylsulfonylpiperidine
CID 72924987
3-[2-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 72859867
1-(2-methylpropyl)-4-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 136561544

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one (CID 97274448) is (4R)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one is CCCCn1ccnc1C1CCN(C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)CC1.
What is the InChIKey of (4R)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is BCZOLYPJSJBEFT-GOSISDBHSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-4-5-9-23-12-8-22-20(23)17-6-10-24(11-7-17)21(27)18-13-19(26)25(15-18)14-16(2)3/h8,12,16-18H,4-7,9-11,13-15H2,1-3H3/t18-/m1/s1.
What are the key properties of (4R)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one?
(4R)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 374.53 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 97274448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).