3-piperidin-3-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide

C19H32N6O — CID 119902288

IUPAC3-piperidin-3-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
SMILESCC(CC(=O)NCCN1CCN(c2ncccn2)CC1)C1CCCNC1
InChIInChI=1S/C19H32N6O/c1-16(17-4-2-5-20-15-17)14-18(26)21-8-9-24-10-12-25(13-11-24)19-22-6-3-7-23-19/h3,6-7,16-17,20H,2,4-5,8-15H2,1H3,(H,21,26)
InChIKeyDPDSEACYAPYQRP-UHFFFAOYSA-N
MW360.51 g/mol
LogP0.74
Rot. Bonds7

About 3-piperidin-3-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide

3-piperidin-3-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide (PubChem CID 119902288) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-piperidin-3-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
PubChem CID119902288
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC Name3-piperidin-3-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
SMILESCC(CC(=O)NCCN1CCN(c2ncccn2)CC1)C1CCCNC1
InChIInChI=1S/C19H32N6O/c1-16(17-4-2-5-20-15-17)14-18(26)21-8-9-24-10-12-25(13-11-24)19-22-6-3-7-23-19/h3,6-7,16-17,20H,2,4-5,8-15H2,1H3,(H,21,26)
InChIKeyDPDSEACYAPYQRP-UHFFFAOYSA-N
XLogP0.74
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-piperidin-4-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
CID 119902308
N-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide
CID 81043564
N-(2-morpholin-4-ylethyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119827786
N-[2-(2-methylimidazol-1-yl)ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119869277
3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 119835530
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820
N-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide
CID 119852423
3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119741122
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-[4-(2-methylimidazol-1-yl)butyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119892478

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide?
The IUPAC name of 3-piperidin-3-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide (CID 119902288) is 3-piperidin-3-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide.
What is the SMILES notation for 3-piperidin-3-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide?
The canonical SMILES for 3-piperidin-3-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide is CC(CC(=O)NCCN1CCN(c2ncccn2)CC1)C1CCCNC1.
What is the InChIKey of 3-piperidin-3-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide?
The InChIKey is DPDSEACYAPYQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O/c1-16(17-4-2-5-20-15-17)14-18(26)21-8-9-24-10-12-25(13-11-24)19-22-6-3-7-23-19/h3,6-7,16-17,20H,2,4-5,8-15H2,1H3,(H,21,26).
What are the key properties of 3-piperidin-3-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide?
3-piperidin-3-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide has a molecular weight of 360.51 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide is sourced from PubChem (CID 119902288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).