4-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline

C23H23N5 — CID 97155167

IUPAC4-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
SMILESc1cncc(Cn2ccnc2[C@H]2CCCN(c3ccnc4ccccc34)C2)c1
InChIInChI=1S/C23H23N5/c1-2-8-21-20(7-1)22(9-11-25-21)27-13-4-6-19(17-27)23-26-12-14-28(23)16-18-5-3-10-24-15-18/h1-3,5,7-12,14-15,19H,4,6,13,16-17H2/t19-/m0/s1
InChIKeyYZVBYMIENDWIRJ-IBGZPJMESA-N
MW369.47 g/mol
LogP4.26
Rot. Bonds4

About 4-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline

4-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline (PubChem CID 97155167) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline.

Molecular Properties

Compound Name4-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
PubChem CID97155167
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name4-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
SMILESc1cncc(Cn2ccnc2[C@H]2CCCN(c3ccnc4ccccc34)C2)c1
InChIInChI=1S/C23H23N5/c1-2-8-21-20(7-1)22(9-11-25-21)27-13-4-6-19(17-27)23-26-12-14-28(23)16-18-5-3-10-24-15-18/h1-3,5,7-12,14-15,19H,4,6,13,16-17H2/t19-/m0/s1
InChIKeyYZVBYMIENDWIRJ-IBGZPJMESA-N
XLogP4.26
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 70726995
4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 96574055
N,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine
CID 72863111
4,5-dimethyl-6-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97130207
[2-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-4-pyridinyl]methanol
CID 97145677
5-methyl-2-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 70776652
6-methyl-4-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 97284997
3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 97268302
N-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 70760109
2-methylsulfanyl-6-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 70760255
1-[2-oxo-2-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]pyrimidin-2-one
CID 97210136
2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 70725155

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline?
The IUPAC name of 4-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline (CID 97155167) is 4-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline.
What is the SMILES notation for 4-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline?
The canonical SMILES for 4-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline is c1cncc(Cn2ccnc2[C@H]2CCCN(c3ccnc4ccccc34)C2)c1.
What is the InChIKey of 4-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline?
The InChIKey is YZVBYMIENDWIRJ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H23N5/c1-2-8-21-20(7-1)22(9-11-25-21)27-13-4-6-19(17-27)23-26-12-14-28(23)16-18-5-3-10-24-15-18/h1-3,5,7-12,14-15,19H,4,6,13,16-17H2/t19-/m0/s1.
What are the key properties of 4-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline?
4-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline has a molecular weight of 369.47 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline is sourced from PubChem (CID 97155167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).