N-[3-(morpholine-4-carbonyl)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide

C24H27N5O3 — CID 154837916

IUPACN-[3-(morpholine-4-carbonyl)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCOCC2)c1)N1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C24H27N5O3/c30-23(28-11-13-32-14-12-28)18-3-1-4-19(15-18)27-24(31)29-9-6-17(7-10-29)21-16-26-22-20(21)5-2-8-25-22/h1-5,8,15-17H,6-7,9-14H2,(H,25,26)(H,27,31)
InChIKeyVURZSBAHKAMKIP-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.45
Rot. Bonds3

About N-[3-(morpholine-4-carbonyl)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide

N-[3-(morpholine-4-carbonyl)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide (PubChem CID 154837916) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonyl)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide
PubChem CID154837916
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-[3-(morpholine-4-carbonyl)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCOCC2)c1)N1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C24H27N5O3/c30-23(28-11-13-32-14-12-28)18-3-1-4-19(15-18)27-24(31)29-9-6-17(7-10-29)21-16-26-22-20(21)5-2-8-25-22/h1-5,8,15-17H,6-7,9-14H2,(H,25,26)(H,27,31)
InChIKeyVURZSBAHKAMKIP-UHFFFAOYSA-N
XLogP3.45
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 51118955
N-[4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 162749484
1-benzofuran-5-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749353
2-fluoro-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]benzonitrile
CID 162749208
(4-methoxyphenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749250
methyl N-[2-fluoro-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]phenyl]carbamate
CID 162749416
isoquinolin-3-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749283
[4-(methylsulfanylmethyl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 87010084
[4-methoxy-3-(trifluoromethyl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749408
(3-bromophenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 110476889
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidine-1-carbonyl fluoride
CID 89186227
1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone
CID 56552955

Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide (CID 154837916) is N-[3-(morpholine-4-carbonyl)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(morpholine-4-carbonyl)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[3-(morpholine-4-carbonyl)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide is O=C(Nc1cccc(C(=O)N2CCOCC2)c1)N1CCC(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of N-[3-(morpholine-4-carbonyl)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide?
The InChIKey is VURZSBAHKAMKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c30-23(28-11-13-32-14-12-28)18-3-1-4-19(15-18)27-24(31)29-9-6-17(7-10-29)21-16-26-22-20(21)5-2-8-25-22/h1-5,8,15-17H,6-7,9-14H2,(H,25,26)(H,27,31).
What are the key properties of N-[3-(morpholine-4-carbonyl)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide?
N-[3-(morpholine-4-carbonyl)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholine-4-carbonyl)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 154837916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).