N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide

C15H26N4O2 — CID 97092059

IUPACN-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide
SMILESCCNC(=O)CCN1CCC([C@H](O)c2nccn2C)CC1
InChIInChI=1S/C15H26N4O2/c1-3-16-13(20)6-10-19-8-4-12(5-9-19)14(21)15-17-7-11-18(15)2/h7,11-12,14,21H,3-6,8-10H2,1-2H3,(H,16,20)/t14-/m0/s1
InChIKeyFRWLPMJPDRCGRR-AWEZNQCLSA-N
MW294.40 g/mol
LogP0.69
Rot. Bonds6

About N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide

N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide (PubChem CID 97092059) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide
PubChem CID97092059
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide
SMILESCCNC(=O)CCN1CCC([C@H](O)c2nccn2C)CC1
InChIInChI=1S/C15H26N4O2/c1-3-16-13(20)6-10-19-8-4-12(5-9-19)14(21)15-17-7-11-18(15)2/h7,11-12,14,21H,3-6,8-10H2,1-2H3,(H,16,20)/t14-/m0/s1
InChIKeyFRWLPMJPDRCGRR-AWEZNQCLSA-N
XLogP0.69
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidophenyl)-2-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]acetamide
CID 95133334
3-(1,3-dihydroisoindol-2-yl)-1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 91795299
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
N-ethyl-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propanamide
CID 111109172
(1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol
CID 45228146
(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65393926
[2-(ethylamino)pyrimidin-5-yl]-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 97122502
[1-[(3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 171909909
[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 120900630
6-[[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 99928460
(1S)-1-(4-fluorophenyl)-2-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol
CID 97092115
1-(4-fluorophenyl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol
CID 75434389

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide?
The IUPAC name of N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide (CID 97092059) is N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide is CCNC(=O)CCN1CCC([C@H](O)c2nccn2C)CC1.
What is the InChIKey of N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide?
The InChIKey is FRWLPMJPDRCGRR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-16-13(20)6-10-19-8-4-12(5-9-19)14(21)15-17-7-11-18(15)2/h7,11-12,14,21H,3-6,8-10H2,1-2H3,(H,16,20)/t14-/m0/s1.
What are the key properties of N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide?
N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide has a molecular weight of 294.40 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 97092059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).