[5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]pyrimidin-2-yl] carbamate

C18H27N5O3 — CID 21102009

IUPAC[5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]pyrimidin-2-yl] carbamate
SMILESNC(=O)Oc1ncc(CCC(=O)N2CCC(N3CCCCC3)CC2)cn1
InChIInChI=1S/C18H27N5O3/c19-17(25)26-18-20-12-14(13-21-18)4-5-16(24)23-10-6-15(7-11-23)22-8-2-1-3-9-22/h12-13,15H,1-11H2,(H2,19,25)
InChIKeyABRQUAKWWFQSEJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.34
Rot. Bonds5

About [5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]pyrimidin-2-yl] carbamate

[5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]pyrimidin-2-yl] carbamate (PubChem CID 21102009) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is [5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]pyrimidin-2-yl] carbamate.

Molecular Properties

Compound Name[5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]pyrimidin-2-yl] carbamate
PubChem CID21102009
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name[5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]pyrimidin-2-yl] carbamate
SMILESNC(=O)Oc1ncc(CCC(=O)N2CCC(N3CCCCC3)CC2)cn1
InChIInChI=1S/C18H27N5O3/c19-17(25)26-18-20-12-14(13-21-18)4-5-16(24)23-10-6-15(7-11-23)22-8-2-1-3-9-22/h12-13,15H,1-11H2,(H2,19,25)
InChIKeyABRQUAKWWFQSEJ-UHFFFAOYSA-N
XLogP1.34
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-aminopiperidin-1-yl)-3-(2-methoxypyrimidin-5-yl)propan-1-one
CID 110475221
4-chloro-2-oxo-6-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-3H-benzimidazole-1-carboxamide
CID 21102082
3-(7-methyl-1H-indazol-5-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 91382816
7-ethyl-5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-2H-indazole-3-carboxamide
CID 21102084
1-[4-(azepan-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110667113
1-(4-cyclohexylpiperazin-1-yl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one
CID 83278597
2-aminooxy-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 71196964
2-(4-aminophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 119842927
1-[4-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 66904486
4-(3,4-dimethoxyphenyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one
CID 22054664
4-[4-[3-(2H-benzotriazol-5-yl)propanoyl]piperazin-1-yl]piperidine-1-carboxamide
CID 18452009
1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenylethanone
CID 1121449

Frequently Asked Questions

What is the IUPAC name of [5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]pyrimidin-2-yl] carbamate?
The IUPAC name of [5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]pyrimidin-2-yl] carbamate (CID 21102009) is [5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]pyrimidin-2-yl] carbamate.
What is the SMILES notation for [5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]pyrimidin-2-yl] carbamate?
The canonical SMILES for [5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]pyrimidin-2-yl] carbamate is NC(=O)Oc1ncc(CCC(=O)N2CCC(N3CCCCC3)CC2)cn1.
What is the InChIKey of [5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]pyrimidin-2-yl] carbamate?
The InChIKey is ABRQUAKWWFQSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c19-17(25)26-18-20-12-14(13-21-18)4-5-16(24)23-10-6-15(7-11-23)22-8-2-1-3-9-22/h12-13,15H,1-11H2,(H2,19,25).
What are the key properties of [5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]pyrimidin-2-yl] carbamate?
[5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]pyrimidin-2-yl] carbamate has a molecular weight of 361.45 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]pyrimidin-2-yl] carbamate is sourced from PubChem (CID 21102009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).