N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]piperidine-3-carboxamide

C22H27N5O — CID 121411624

IUPACN-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]piperidine-3-carboxamide
SMILESC[C@H]1C[C@@H](NC(=O)C2CCCNC2)CN(c2ccc(C#N)c3ncccc23)C1
InChIInChI=1S/C22H27N5O/c1-15-10-18(26-22(28)17-4-2-8-24-12-17)14-27(13-15)20-7-6-16(11-23)21-19(20)5-3-9-25-21/h3,5-7,9,15,17-18,24H,2,4,8,10,12-14H2,1H3,(H,26,28)/t15-,17?,18+/m0/s1
InChIKeyRUMKPNXYJMTARN-DKKDMOBXSA-N
MW377.49 g/mol
LogP2.44
Rot. Bonds3

About N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]piperidine-3-carboxamide

N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]piperidine-3-carboxamide (PubChem CID 121411624) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]piperidine-3-carboxamide
PubChem CID121411624
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]piperidine-3-carboxamide
SMILESC[C@H]1C[C@@H](NC(=O)C2CCCNC2)CN(c2ccc(C#N)c3ncccc23)C1
InChIInChI=1S/C22H27N5O/c1-15-10-18(26-22(28)17-4-2-8-24-12-17)14-27(13-15)20-7-6-16(11-23)21-19(20)5-3-9-25-21/h3,5-7,9,15,17-18,24H,2,4,8,10,12-14H2,1H3,(H,26,28)/t15-,17?,18+/m0/s1
InChIKeyRUMKPNXYJMTARN-DKKDMOBXSA-N
XLogP2.44
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]piperidine-3-carboxamide (CID 121411624) is N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]piperidine-3-carboxamide is C[C@H]1C[C@@H](NC(=O)C2CCCNC2)CN(c2ccc(C#N)c3ncccc23)C1.
What is the InChIKey of N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]piperidine-3-carboxamide?
The InChIKey is RUMKPNXYJMTARN-DKKDMOBXSA-N. The full InChI is InChI=1S/C22H27N5O/c1-15-10-18(26-22(28)17-4-2-8-24-12-17)14-27(13-15)20-7-6-16(11-23)21-19(20)5-3-9-25-21/h3,5-7,9,15,17-18,24H,2,4,8,10,12-14H2,1H3,(H,26,28)/t15-,17?,18+/m0/s1.
What are the key properties of N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]piperidine-3-carboxamide?
N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]piperidine-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 121411624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).