2-[(3S)-3-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide

C20H33N5O2 — CID 97285199

IUPAC2-[(3S)-3-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESCCCCn1ccnc1C1CCN(C(=O)[C@H]2CCCN(CC(N)=O)C2)CC1
InChIInChI=1S/C20H33N5O2/c1-2-3-10-24-13-8-22-19(24)16-6-11-25(12-7-16)20(27)17-5-4-9-23(14-17)15-18(21)26/h8,13,16-17H,2-7,9-12,14-15H2,1H3,(H2,21,26)/t17-/m0/s1
InChIKeyNHNJLHSVMOYMKY-KRWDZBQOSA-N
MW375.52 g/mol
LogP1.59
Rot. Bonds7

About 2-[(3S)-3-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide

2-[(3S)-3-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide (PubChem CID 97285199) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-[(3S)-3-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
PubChem CID97285199
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name2-[(3S)-3-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
SMILESCCCCn1ccnc1C1CCN(C(=O)[C@H]2CCCN(CC(N)=O)C2)CC1
InChIInChI=1S/C20H33N5O2/c1-2-3-10-24-13-8-22-19(24)16-6-11-25(12-7-16)20(27)17-5-4-9-23(14-17)15-18(21)26/h8,13,16-17H,2-7,9-12,14-15H2,1H3,(H2,21,26)/t17-/m0/s1
InChIKeyNHNJLHSVMOYMKY-KRWDZBQOSA-N
XLogP1.59
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]ethanone
CID 72854261
[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-3-yl)methanone
CID 72940770
(4S)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 97114697
(4R)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 97274448
1-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 97192324
2-[3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 131911944
1-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 97280885
2-[3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 118775112
[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 72882305
1-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 97187284
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 97200492
[(1S,3R)-3-aminocyclopentyl]-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 72881621

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[(3S)-3-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide (CID 97285199) is 2-[(3S)-3-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[(3S)-3-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[(3S)-3-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide is CCCCn1ccnc1C1CCN(C(=O)[C@H]2CCCN(CC(N)=O)C2)CC1.
What is the InChIKey of 2-[(3S)-3-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
The InChIKey is NHNJLHSVMOYMKY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-2-3-10-24-13-8-22-19(24)16-6-11-25(12-7-16)20(27)17-5-4-9-23(14-17)15-18(21)26/h8,13,16-17H,2-7,9-12,14-15H2,1H3,(H2,21,26)/t17-/m0/s1.
What are the key properties of 2-[(3S)-3-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide?
2-[(3S)-3-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide has a molecular weight of 375.52 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 97285199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).