(2-piperidin-1-yl-1H-pyrimidin-6-ylidene)methanone

C10H13N3O — CID 176526128

IUPAC(2-piperidin-1-yl-1H-pyrimidin-6-ylidene)methanone
SMILESO=C=C1C=CN=C(N2CCCCC2)N1
InChIInChI=1S/C10H13N3O/c14-8-9-4-5-11-10(12-9)13-6-2-1-3-7-13/h4-5H,1-3,6-7H2,(H,11,12)
InChIKeyLFQYAHMDQPBTDN-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.66
Rot. Bonds

About (2-piperidin-1-yl-1H-pyrimidin-6-ylidene)methanone

(2-piperidin-1-yl-1H-pyrimidin-6-ylidene)methanone (PubChem CID 176526128) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is (2-piperidin-1-yl-1H-pyrimidin-6-ylidene)methanone.

Molecular Properties

Compound Name(2-piperidin-1-yl-1H-pyrimidin-6-ylidene)methanone
PubChem CID176526128
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name(2-piperidin-1-yl-1H-pyrimidin-6-ylidene)methanone
SMILESO=C=C1C=CN=C(N2CCCCC2)N1
InChIInChI=1S/C10H13N3O/c14-8-9-4-5-11-10(12-9)13-6-2-1-3-7-13/h4-5H,1-3,6-7H2,(H,11,12)
InChIKeyLFQYAHMDQPBTDN-UHFFFAOYSA-N
XLogP0.66
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

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CID 141039790
3-pyrrolidin-1-yl-4H-1,2,4,6-thiatriazine 1,1-dioxide
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piperazin-2-ylidenemethanone;2-pyrrolidin-1-ylpyrimidine
CID 87952852
3-piperidin-1-yl-1H-azaindigole
CID 141234527
4-benzylidene-2-piperidin-1-yl-1H-imidazol-5-one
CID 135489838
piperazine;2-piperidin-1-ylpyrimidine;hydrofluoride
CID 174800980
1,7-diazabicyclo[5.2.1]decan-10-one
CID 90224464
2,4,6-tri(piperidin-1-yl)-1,3,5-triazine
CID 2827031
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
4-amino-2-pyrrolidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile
CID 56920902
4-piperidin-1-yl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137291580
4-pyrrolidin-1-ylpyridine
CID 158456628

Frequently Asked Questions

What is the IUPAC name of (2-piperidin-1-yl-1H-pyrimidin-6-ylidene)methanone?
The IUPAC name of (2-piperidin-1-yl-1H-pyrimidin-6-ylidene)methanone (CID 176526128) is (2-piperidin-1-yl-1H-pyrimidin-6-ylidene)methanone.
What is the SMILES notation for (2-piperidin-1-yl-1H-pyrimidin-6-ylidene)methanone?
The canonical SMILES for (2-piperidin-1-yl-1H-pyrimidin-6-ylidene)methanone is O=C=C1C=CN=C(N2CCCCC2)N1.
What is the InChIKey of (2-piperidin-1-yl-1H-pyrimidin-6-ylidene)methanone?
The InChIKey is LFQYAHMDQPBTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-8-9-4-5-11-10(12-9)13-6-2-1-3-7-13/h4-5H,1-3,6-7H2,(H,11,12).
What are the key properties of (2-piperidin-1-yl-1H-pyrimidin-6-ylidene)methanone?
(2-piperidin-1-yl-1H-pyrimidin-6-ylidene)methanone has a molecular weight of 191.23 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperidin-1-yl-1H-pyrimidin-6-ylidene)methanone is sourced from PubChem (CID 176526128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).