1-[4-(1H-indol-2-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one

C20H23N5O — CID 51097129

IUPAC1-[4-(1H-indol-2-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
SMILESO=C(CCNc1ncccn1)N1CCC(c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H23N5O/c26-19(6-11-23-20-21-9-3-10-22-20)25-12-7-15(8-13-25)18-14-16-4-1-2-5-17(16)24-18/h1-5,9-10,14-15,24H,6-8,11-13H2,(H,21,22,23)
InChIKeyGHCPXAWABOGISO-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.17
Rot. Bonds5

About 1-[4-(1H-indol-2-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one

1-[4-(1H-indol-2-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one (PubChem CID 51097129) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[4-(1H-indol-2-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-[4-(1H-indol-2-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
PubChem CID51097129
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[4-(1H-indol-2-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
SMILESO=C(CCNc1ncccn1)N1CCC(c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C20H23N5O/c26-19(6-11-23-20-21-9-3-10-22-20)25-12-7-15(8-13-25)18-14-16-4-1-2-5-17(16)24-18/h1-5,9-10,14-15,24H,6-8,11-13H2,(H,21,22,23)
InChIKeyGHCPXAWABOGISO-UHFFFAOYSA-N
XLogP3.17
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113087860
3-[2-[4-(1H-indol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 56821439
1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 94036422
1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 71883526
4-(1H-indol-2-yl)-N-(2-methyltetrazol-5-yl)piperidine-1-carboxamide
CID 136563655
1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 56817264
[2-(dimethylamino)-4-pyridinyl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 51097128
(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one
CID 113088532
4-(1H-indol-2-yl)-N-phenylmethoxypiperidine-1-carboxamide
CID 95164710
[5-(ethylamino)-1,3,4-oxadiazol-2-yl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 167904960
furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087824

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indol-2-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one?
The IUPAC name of 1-[4-(1H-indol-2-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one (CID 51097129) is 1-[4-(1H-indol-2-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one.
What is the SMILES notation for 1-[4-(1H-indol-2-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one?
The canonical SMILES for 1-[4-(1H-indol-2-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one is O=C(CCNc1ncccn1)N1CCC(c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-[4-(1H-indol-2-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one?
The InChIKey is GHCPXAWABOGISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c26-19(6-11-23-20-21-9-3-10-22-20)25-12-7-15(8-13-25)18-14-16-4-1-2-5-17(16)24-18/h1-5,9-10,14-15,24H,6-8,11-13H2,(H,21,22,23).
What are the key properties of 1-[4-(1H-indol-2-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one?
1-[4-(1H-indol-2-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one has a molecular weight of 349.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indol-2-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one is sourced from PubChem (CID 51097129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).