(1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone

C17H25N5O — CID 70740554

IUPAC(1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone
SMILESCCCn1ccnc1CN1CCCC(C(=O)c2nccn2C)C1
InChIInChI=1S/C17H25N5O/c1-3-8-22-11-7-18-15(22)13-21-9-4-5-14(12-21)16(23)17-19-6-10-20(17)2/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3
InChIKeyGOCZKYSMKQZPNG-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.12
Rot. Bonds6

About (1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone

(1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone (PubChem CID 70740554) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone
PubChem CID70740554
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone
SMILESCCCn1ccnc1CN1CCCC(C(=O)c2nccn2C)C1
InChIInChI=1S/C17H25N5O/c1-3-8-22-11-7-18-15(22)13-21-9-4-5-14(12-21)16(23)17-19-6-10-20(17)2/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3
InChIKeyGOCZKYSMKQZPNG-UHFFFAOYSA-N
XLogP2.12
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methylimidazol-2-yl)-[(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 42147518
[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70750788
(3R)-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 99932022
(1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone
CID 171914388
[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70731123
N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 110258642
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone
CID 45232578
3-[(3S)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]benzoic acid
CID 97195148
1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone
CID 45222283
(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 99931486
(3R)-N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126453049
(3R)-1-(furan-2-ylmethyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 125437302

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone (CID 70740554) is (1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone is CCCn1ccnc1CN1CCCC(C(=O)c2nccn2C)C1.
What is the InChIKey of (1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone?
The InChIKey is GOCZKYSMKQZPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-3-8-22-11-7-18-15(22)13-21-9-4-5-14(12-21)16(23)17-19-6-10-20(17)2/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3.
What are the key properties of (1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone?
(1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone has a molecular weight of 315.42 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 70740554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).