(4S)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one

C20H30N4O2 — CID 97114697

IUPAC(4S)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
SMILESCCCCn1ccnc1C1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1
InChIInChI=1S/C20H30N4O2/c1-2-3-9-22-12-8-21-19(22)15-6-10-23(11-7-15)20(26)16-13-18(25)24(14-16)17-4-5-17/h8,12,15-17H,2-7,9-11,13-14H2,1H3/t16-/m0/s1
InChIKeyUAAPRAVGIVZXFO-INIZCTEOSA-N
MW358.49 g/mol
LogP2.40
Rot. Bonds6

About (4S)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one

(4S)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one (PubChem CID 97114697) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is (4S)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
PubChem CID97114697
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name(4S)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
SMILESCCCCn1ccnc1C1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1
InChIInChI=1S/C20H30N4O2/c1-2-3-9-22-12-8-21-19(22)15-6-10-23(11-7-15)20(26)16-13-18(25)24(14-16)17-4-5-17/h8,12,15-17H,2-7,9-11,13-14H2,1H3/t16-/m0/s1
InChIKeyUAAPRAVGIVZXFO-INIZCTEOSA-N
XLogP2.40
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 97274448
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
2-(azepan-1-yl)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]ethanone
CID 72854261
3-[2-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 72859867
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 70781021
[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-3-yl)methanone
CID 72940770
(3S)-1-cyclopropyl-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97119665
[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 72882305
(4S)-1-ethyl-4-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 97280064
[(1S,3R)-3-aminocyclopentyl]-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 72881621
(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97150099

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one (CID 97114697) is (4S)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one is CCCCn1ccnc1C1CCN(C(=O)[C@H]2CC(=O)N(C3CC3)C2)CC1.
What is the InChIKey of (4S)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one?
The InChIKey is UAAPRAVGIVZXFO-INIZCTEOSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-2-3-9-22-12-8-21-19(22)15-6-10-23(11-7-15)20(26)16-13-18(25)24(14-16)17-4-5-17/h8,12,15-17H,2-7,9-11,13-14H2,1H3/t16-/m0/s1.
What are the key properties of (4S)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one?
(4S)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one has a molecular weight of 358.49 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one is sourced from PubChem (CID 97114697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).