N-[[(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]acetamide

C16H28N4O2 — CID 164636900

IUPACN-[[(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]acetamide
SMILESCCCCc1ncc(CN2CC[C@H](CNC(C)=O)[C@@H](O)C2)[nH]1
InChIInChI=1S/C16H28N4O2/c1-3-4-5-16-18-9-14(19-16)10-20-7-6-13(15(22)11-20)8-17-12(2)21/h9,13,15,22H,3-8,10-11H2,1-2H3,(H,17,21)(H,18,19)/t13-,15+/m1/s1
InChIKeyRPXGRKHTGZHGRQ-HIFRSBDPSA-N
MW308.43 g/mol
LogP1.07
Rot. Bonds7

About N-[[(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]acetamide

N-[[(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]acetamide (PubChem CID 164636900) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[[(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]acetamide
PubChem CID164636900
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC NameN-[[(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]acetamide
SMILESCCCCc1ncc(CN2CC[C@H](CNC(C)=O)[C@@H](O)C2)[nH]1
InChIInChI=1S/C16H28N4O2/c1-3-4-5-16-18-9-14(19-16)10-20-7-6-13(15(22)11-20)8-17-12(2)21/h9,13,15,22H,3-8,10-11H2,1-2H3,(H,17,21)(H,18,19)/t13-,15+/m1/s1
InChIKeyRPXGRKHTGZHGRQ-HIFRSBDPSA-N
XLogP1.07
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-{2-[4-(1H-imidazol-4-ylmethyl)morpholin-2-yl]ethyl}-2,2,3,3-tetramethylcyclopropanecarboxamide
CID 56701904
2-{4-[(2-butyl-1H-imidazol-4-yl)methyl]-1-cyclopentyl-2-piperazinyl}ethanol
CID 45243230
3-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42513681
[(3R,4R)-1-(1H-imidazol-5-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70722274
1-[1-(1H-imidazol-4-ylmethyl)-4-piperidinyl]-3-methyl-1-butanol
CID 70723789
{1-[(4-methyl-1H-imidazol-2-yl)carbonyl]-4-propylpiperidin-4-yl}methanol
CID 77091772
1-[(2-Methyl-1H-imidazol-4-YL)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-OL
CID 77097401
(3S)-N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 164633301
N-(5-hydroxypentan-2-yl)-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide
CID 112143730
(2-ethyl-1H-imidazol-5-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 112329070
2-hydroxy-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 136570858
1-[12,13-dihydroxy-6-(1H-imidazol-5-ylmethyl)-11-(3-methylbutoxy)-1-oxa-6,9-diazacyclotetradec-9-yl]ethanone
CID 172640797

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]acetamide (CID 164636900) is N-[[(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]acetamide is CCCCc1ncc(CN2CC[C@H](CNC(C)=O)[C@@H](O)C2)[nH]1.
What is the InChIKey of N-[[(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]acetamide?
The InChIKey is RPXGRKHTGZHGRQ-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-3-4-5-16-18-9-14(19-16)10-20-7-6-13(15(22)11-20)8-17-12(2)21/h9,13,15,22H,3-8,10-11H2,1-2H3,(H,17,21)(H,18,19)/t13-,15+/m1/s1.
What are the key properties of N-[[(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]acetamide?
N-[[(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]acetamide has a molecular weight of 308.43 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 164636900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).